 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer01_STD_wB97XD_augccpVDZ.in
 Output=11_L-cysteine_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-56663.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     56665.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.038368000000      0.050355000000      0.973144000000
  S                                                -1.995843000000     -0.295319000000     -0.543653000000
  C                                                 0.363508000000      0.594497000000      0.695573000000
  N                                                 0.423962000000      1.801216000000     -0.127846000000
  C                                                 1.257054000000     -0.497668000000      0.075532000000
  O                                                 1.175185000000     -1.658561000000      0.374863000000
  O                                                 2.147652000000     -0.028506000000     -0.799987000000
  H                                                 0.830827000000      0.823589000000      1.659371000000
  H                                                -0.978162000000     -0.853759000000      1.573271000000
  H                                                -1.621949000000      0.791783000000      1.518928000000
  H                                                 1.947126000000      0.931990000000     -0.883214000000
  H                                                -0.300279000000      1.767801000000     -0.840577000000
  H                                                 0.299163000000      2.642352000000      0.418972000000
  H                                                -1.286825000000     -1.373729000000     -0.917887000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299163    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.826724   0.000000
     3  C    1.529180   2.809625   0.000000
     4  N    2.533003   3.228593   1.462137   0.000000
     5  C    2.524876   3.317480   1.541330   2.453624   0.000000
     6  O    2.859747   3.571767   2.416184   3.575907   1.201655
     7  O    3.647045   4.159982   2.409980   2.602069   1.334096
     8  H    2.136045   3.754375   1.095343   2.077363   2.106166
     9  H    1.086830   2.414311   2.160527   3.450890   2.714077
    10  H    1.090029   2.361319   2.158443   2.813640   3.469111
    11  H    3.624434   4.143500   2.261485   1.909493   1.854539
    12  H    2.604607   2.686925   2.043774   1.016675   2.897739
    13  H    2.968930   3.850144   2.067452   1.010987   3.300793
    14  H    2.380282   1.343773   3.033276   3.692050   2.868045
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.232273   0.000000
     8  H    2.815957   2.916939   0.000000
     9  H    2.592449   4.010500   2.468471   0.000000
    10  H    3.890634   4.501126   2.456999   1.767830   0.000000
    11  H    2.981544   0.984728   2.778959   4.216696   4.304444
    12  H    3.923550   3.036566   2.901840   3.627501   2.875185
    13  H    4.389443   3.469331   2.264764   3.897019   2.885339
    14  H    2.795322   3.690414   3.994360   2.563496   3.277166
                   11         12         13         14
    11  H    0.000000
    12  H    2.398172   0.000000
    13  H    2.708654   1.646400   0.000000
    14  H    3.971899   3.293700   4.520117   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.038368    0.050355    0.973144
      2         16           0       -1.995843   -0.295319   -0.543653
      3          6           0        0.363508    0.594497    0.695573
      4          7           0        0.423962    1.801216   -0.127846
      5          6           0        1.257054   -0.497668    0.075532
      6          8           0        1.175185   -1.658561    0.374863
      7          8           0        2.147652   -0.028506   -0.799987
      8          1           0        0.830827    0.823589    1.659371
      9          1           0       -0.978162   -0.853759    1.573271
     10          1           0       -1.621949    0.791783    1.518928
     11          1           0        1.947126    0.931990   -0.883214
     12          1           0       -0.300279    1.767801   -0.840577
     13          1           0        0.299162    2.642352    0.418972
     14          1           0       -1.286825   -1.373729   -0.917887
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0883872           1.5855371           1.3175751
 Leave Link  202 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       385.8531241237 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0072070782 Hartrees.
 Nuclear repulsion after empirical dispersion term =      385.8459170455 Hartrees.
 Leave Link  301 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.98D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:05:48 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.890326987281    
 DIIS: error= 6.22D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.890326987281     IErMin= 1 ErrMin= 6.22D-03
 ErrMax= 6.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.23D-03 BMatP= 7.23D-03
 IDIUse=3 WtCom= 9.38D-01 WtEn= 6.22D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.402 Goal=   None    Shift=    0.000
 GapD=    0.402 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.62D-03 MaxDP=3.91D-01              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.55D-03    CP:  9.65D-01
 E= -721.895537654555     Delta-E=       -0.005210667274 Rises=F Damp=F
 DIIS: error= 4.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.895537654555     IErMin= 2 ErrMin= 4.18D-04
 ErrMax= 4.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-04 BMatP= 7.23D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.18D-03
 Coeff-Com: -0.249D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.248D-01 0.102D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=4.47D-02 DE=-5.21D-03 OVMax= 4.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.83D-04    CP:  9.59D-01  1.14D+00
 E= -721.895694632869     Delta-E=       -0.000156978314 Rises=F Damp=F
 DIIS: error= 4.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.895694632869     IErMin= 3 ErrMin= 4.10D-04
 ErrMax= 4.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-04 BMatP= 1.46D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.10D-03
 Coeff-Com: -0.326D-01 0.477D+00 0.556D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.325D-01 0.475D+00 0.557D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.49D-04 MaxDP=6.42D-03 DE=-1.57D-04 OVMax= 1.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.68D-05    CP:  9.58D-01  1.15D+00  1.13D+00
 E= -721.895772595353     Delta-E=       -0.000077962484 Rises=F Damp=F
 DIIS: error= 8.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.895772595353     IErMin= 4 ErrMin= 8.15D-05
 ErrMax= 8.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-06 BMatP= 1.08D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.501D-02-0.760D-02 0.142D+00 0.870D+00
 Coeff:     -0.501D-02-0.760D-02 0.142D+00 0.870D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=5.41D-03 DE=-7.80D-05 OVMax= 6.92D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.61D-05    CP:  9.57D-01  1.16D+00  1.26D+00  1.15D+00
 E= -721.895777642162     Delta-E=       -0.000005046808 Rises=F Damp=F
 DIIS: error= 3.45D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.895777642162     IErMin= 5 ErrMin= 3.45D-05
 ErrMax= 3.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-06 BMatP= 4.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-02-0.518D-01 0.580D-02 0.401D+00 0.644D+00
 Coeff:      0.112D-02-0.518D-01 0.580D-02 0.401D+00 0.644D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.27D-05 MaxDP=1.17D-03 DE=-5.05D-06 OVMax= 3.21D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  9.57D-01  1.16D+00  1.28D+00  1.23D+00  1.11D+00
 E= -721.895778761189     Delta-E=       -0.000001119027 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.895778761189     IErMin= 6 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.12D-08 BMatP= 1.11D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.902D-03-0.199D-01-0.111D-01 0.784D-01 0.259D+00 0.693D+00
 Coeff:      0.902D-03-0.199D-01-0.111D-01 0.784D-01 0.259D+00 0.693D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=5.79D-06 MaxDP=3.08D-04 DE=-1.12D-06 OVMax= 1.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.76D-06    CP:  9.57D-01  1.16D+00  1.29D+00  1.25D+00  1.21D+00
                    CP:  1.18D+00
 E= -721.895778846418     Delta-E=       -0.000000085229 Rises=F Damp=F
 DIIS: error= 5.03D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.895778846418     IErMin= 7 ErrMin= 5.03D-06
 ErrMax= 5.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-08 BMatP= 9.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.154D-03 0.136D-02-0.565D-02-0.428D-01-0.428D-02 0.327D+00
 Coeff-Com:  0.725D+00
 Coeff:      0.154D-03 0.136D-02-0.565D-02-0.428D-01-0.428D-02 0.327D+00
 Coeff:      0.725D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.87D-06 MaxDP=1.09D-04 DE=-8.52D-08 OVMax= 5.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  9.57D-01  1.16D+00  1.29D+00  1.25D+00  1.26D+00
                    CP:  1.29D+00  1.14D+00
 E= -721.895778866615     Delta-E=       -0.000000020197 Rises=F Damp=F
 DIIS: error= 8.46D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.895778866615     IErMin= 8 ErrMin= 8.46D-07
 ErrMax= 8.46D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-10 BMatP= 1.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.247D-04 0.207D-02-0.694D-03-0.195D-01-0.224D-01 0.329D-01
 Coeff-Com:  0.219D+00 0.788D+00
 Coeff:     -0.247D-04 0.207D-02-0.694D-03-0.195D-01-0.224D-01 0.329D-01
 Coeff:      0.219D+00 0.788D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=6.02D-05 DE=-2.02D-08 OVMax= 1.57D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.63D-07    CP:  9.57D-01  1.16D+00  1.29D+00  1.25D+00  1.27D+00
                    CP:  1.33D+00  1.25D+00  1.23D+00
 E= -721.895778867906     Delta-E=       -0.000000001291 Rises=F Damp=F
 DIIS: error= 4.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.895778867906     IErMin= 9 ErrMin= 4.67D-07
 ErrMax= 4.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-10 BMatP= 9.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.254D-04 0.517D-03 0.445D-03-0.172D-02-0.717D-02-0.294D-01
 Coeff-Com: -0.514D-02 0.262D+00 0.780D+00
 Coeff:     -0.254D-04 0.517D-03 0.445D-03-0.172D-02-0.717D-02-0.294D-01
 Coeff:     -0.514D-02 0.262D+00 0.780D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.96D-07 MaxDP=2.16D-05 DE=-1.29D-09 OVMax= 7.32D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.26D-07    CP:  9.57D-01  1.16D+00  1.29D+00  1.25D+00  1.27D+00
                    CP:  1.34D+00  1.29D+00  1.35D+00  1.12D+00
 E= -721.895778868072     Delta-E=       -0.000000000166 Rises=F Damp=F
 DIIS: error= 8.83D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.895778868072     IErMin=10 ErrMin= 8.83D-08
 ErrMax= 8.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-12 BMatP= 1.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-05-0.118D-03 0.129D-03 0.162D-02 0.118D-02-0.753D-02
 Coeff-Com: -0.188D-01-0.417D-01 0.117D+00 0.949D+00
 Coeff:     -0.168D-05-0.118D-03 0.129D-03 0.162D-02 0.118D-02-0.753D-02
 Coeff:     -0.188D-01-0.417D-01 0.117D+00 0.949D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.26D-07 MaxDP=5.63D-06 DE=-1.66D-10 OVMax= 2.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.61D-08    CP:  9.57D-01  1.16D+00  1.29D+00  1.25D+00  1.27D+00
                    CP:  1.34D+00  1.30D+00  1.38D+00  1.24D+00  1.20D+00
 E= -721.895778868118     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 3.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.895778868118     IErMin=11 ErrMin= 3.42D-08
 ErrMax= 3.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-13 BMatP= 6.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-05-0.591D-04-0.155D-04 0.451D-03 0.862D-03 0.741D-03
 Coeff-Com: -0.334D-02-0.311D-01-0.414D-01 0.191D+00 0.883D+00
 Coeff:      0.149D-05-0.591D-04-0.155D-04 0.451D-03 0.862D-03 0.741D-03
 Coeff:     -0.334D-02-0.311D-01-0.414D-01 0.191D+00 0.883D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.30D-08 MaxDP=1.14D-06 DE=-4.59D-11 OVMax= 9.18D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.14D-08    CP:  9.57D-01  1.16D+00  1.29D+00  1.25D+00  1.27D+00
                    CP:  1.34D+00  1.30D+00  1.39D+00  1.26D+00  1.27D+00
                    CP:  1.21D+00
 E= -721.895778868088     Delta-E=        0.000000000030 Rises=F Damp=F
 DIIS: error= 1.05D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -721.895778868118     IErMin=12 ErrMin= 1.05D-08
 ErrMax= 1.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-13 BMatP= 6.62D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.773D-06-0.370D-05-0.253D-04-0.919D-04 0.129D-03 0.120D-02
 Coeff-Com:  0.165D-02-0.282D-02-0.258D-01-0.723D-01 0.232D+00 0.866D+00
 Coeff:      0.773D-06-0.370D-05-0.253D-04-0.919D-04 0.129D-03 0.120D-02
 Coeff:      0.165D-02-0.282D-02-0.258D-01-0.723D-01 0.232D+00 0.866D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.50D-09 MaxDP=3.10D-07 DE= 2.98D-11 OVMax= 3.72D-07

 SCF Done:  E(RwB97XD) =  -721.895778868     A.U. after   12 cycles
            NFock= 12  Conv=0.85D-08     -V/T= 2.0040
 KE= 7.190124999025D+02 PE=-2.475780329238D+03 EE= 6.490261334216D+02
 Leave Link  502 at Thu Aug 12 22:06:49 2021, MaxMem=  5368709120 cpu:             488.9 elap:              61.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.54265182D+02

 Leave Link  801 at Thu Aug 12 22:06:49 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 1.81D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.75D-01 5.98D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 2.45D-02 2.30D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.21D-03 8.29D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.27D-04 2.35D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 3.55D-06 3.75D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 1.11D-07 5.15D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 2.66D-09 9.82D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 5.07D-11 1.18D-06.
      9 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 7.80D-13 1.08D-07.
      4 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 1.24D-14 1.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.795301D+02
      2  0.309724D+01  0.769448D+02
      3 -0.302456D+00 -0.398632D+00  0.692082D+02
 Isotropic polarizability for W=    0.088559       75.23 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.626628D+02 -0.215238D+02 -0.370688D+02
      2   0.318573D+02  0.170536D+02  0.120214D+02
      3   0.308055D+02  0.447027D+01  0.250473D+02
      4  -0.870795D+00 -0.122925D+02 -0.127617D+02
      5  -0.237702D+02 -0.145501D+02 -0.421171D+02
      6  -0.267861D+01  0.940860D+01  0.136794D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.542241D+00 -0.160843D+01 -0.418792D+01
      2  -0.178703D+02 -0.767326D+01 -0.292826D+02
      3   0.143486D+02  0.848750D+01  0.708614D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.178840D+01 -0.261285D+01 -0.920917D+01
      2  -0.132985D+02 -0.100831D+02 -0.729226D+02
      3   0.206530D+02  0.441497D+02  0.118715D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.740662D+00  0.288075D+01 -0.110969D+01
      2   0.288075D+01  0.129341D+01  0.160216D+01
      3  -0.110969D+01  0.160216D+01 -0.597629D+00
 OR G Eigenvalues:    -3.8348     0.3320     3.4579  Iso=     0.0150
 Eigenvectors:
   (1)   0.679585  -0.537675   0.499070
   (2)  -0.515458   0.134086   0.846359
   (3)   0.521984   0.832422   0.186026
 w=    0.088559 a.u., Optical Rotation Beta=      0.0150 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =        6.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 4.74D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.46D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.39D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.23D-02 2.33D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 1.19D-03 4.16D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.40D-05 4.55D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.64D-07 4.45D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 1.36D-09 3.80D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 7.94D-12 3.50D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 4.06D-14 2.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 6.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 6.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.96D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.795301D+02  0.309724D+01 -0.302456D+00
      2   0.309724D+01  0.769448D+02 -0.398632D+00
      3  -0.302456D+00 -0.398632D+00  0.692082D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.542241D+00 -0.160843D+01 -0.418792D+01
      2  -0.178703D+02 -0.767326D+01 -0.292826D+02
      3   0.143486D+02  0.848750D+01  0.708614D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.626628D+02 -0.215238D+02 -0.370688D+02
      2   0.318573D+02  0.170536D+02  0.120214D+02
      3   0.308055D+02  0.447027D+01  0.250473D+02
      4  -0.870795D+00 -0.122925D+02 -0.127617D+02
      5  -0.237702D+02 -0.145501D+02 -0.421171D+02
      6  -0.267861D+01  0.940860D+01  0.136794D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.423833D+00 -0.119553D+01  0.247347D+01 -0.114388D+01  0.122415D+01
      2  -0.119553D+01  0.114703D+01  0.250971D+01  0.122415D+01  0.184198D+00
      3   0.247347D+01  0.250971D+01  0.456232D+01  0.268477D+01 -0.343776D+01
                 6             7             8             9            10 
      1   0.268477D+01  0.508089D+01  0.341595D+01  0.448410D+01 -0.905494D+01
      2  -0.343776D+01  0.341595D+01 -0.950766D+00  0.160521D+01  0.634944D+00
      3   0.289233D+01  0.448410D+01  0.160521D+01  0.299924D+01 -0.307549D+01
                11            12            13            14            15 
      1   0.634944D+00 -0.307549D+01  0.269154D+01 -0.406680D+01 -0.890973D+00
      2  -0.393352D+01 -0.709381D+00 -0.406680D+01  0.254133D+01  0.237520D+00
      3  -0.709381D+00 -0.469338D+01 -0.890973D+00  0.237520D+00  0.649078D-01
                16            17            18            19            20 
      1  -0.452670D+01 -0.191002D+01 -0.588658D+01  0.470334D+00  0.249514D+01
      2  -0.191002D+01  0.335897D+00 -0.943250D+00  0.249514D+01 -0.103950D+01
      3  -0.588658D+01 -0.943250D+00 -0.737895D+01 -0.191731D+01 -0.202071D+01
                21            22            23            24            25 
      1  -0.191731D+01  0.172811D+01 -0.167199D+01 -0.117678D+01 -0.289025D+01
      2  -0.202071D+01 -0.167199D+01 -0.740392D+00  0.157217D+01 -0.204028D+01
      3  -0.204534D+01 -0.117678D+01  0.157217D+01 -0.768975D+00 -0.349720D+01
                26            27            28            29            30 
      1  -0.204028D+01 -0.349720D+01  0.199362D+01  0.118153D+01  0.129566D+01
      2   0.634639D+00 -0.181368D+01  0.118153D+01  0.336376D+01  0.114973D+00
      3  -0.181368D+01 -0.428864D+01  0.129566D+01  0.114973D+00  0.147010D+01
                31            32            33            34            35 
      1   0.896259D+00  0.281085D+01 -0.126635D+00  0.203635D+01  0.704364D+00
      2   0.281085D+01 -0.526906D-01 -0.312090D+01  0.704364D+00 -0.304225D+01
      3  -0.126635D+00 -0.312090D+01  0.116744D+00  0.196087D+01  0.775286D-01
                36            37            38            39            40 
      1   0.196087D+01  0.867724D+00 -0.146496D+01  0.738762D+00 -0.718739D+00
      2   0.775286D-01 -0.146496D+01  0.183825D+01  0.861376D+00  0.576601D+00
      3  -0.210854D-01  0.738762D+00  0.861376D+00  0.652663D+00  0.933109D+00
                41            42            43            44            45 
      1   0.576601D+00  0.933109D+00 -0.753285D+00  0.146311D+01 -0.688892D-01
      2   0.498764D+01 -0.213350D+01  0.146311D+01 -0.289803D+01  0.258462D+00
      3  -0.213350D+01  0.105153D+00 -0.688892D-01  0.258462D+00 -0.123918D+00
                46            47            48            49            50 
      1  -0.701406D+00 -0.259544D+01  0.621800D+00 -0.347382D+01  0.962708D+00
      2  -0.259544D+01  0.250193D+00 -0.551091D+00  0.962708D+00 -0.124362D+02
      3   0.621800D+00 -0.551091D+00 -0.229346D+00 -0.107475D+00  0.238064D+01
                51            52            53            54            55 
      1  -0.107475D+00  0.131634D+01 -0.613229D+00  0.182689D+00  0.573033D+01
      2   0.238064D+01 -0.613229D+00  0.181864D+01 -0.287242D+01  0.333575D+00
      3  -0.249252D+01  0.182689D+00 -0.287242D+01  0.207358D+01 -0.240908D+01
                56            57            58            59            60 
      1   0.333575D+00 -0.240908D+01 -0.199000D+01  0.289346D+01  0.755799D+00
      2   0.861631D+00 -0.182399D+00  0.289346D+01 -0.357117D+01 -0.593543D+00
      3  -0.182399D+00  0.120683D+01  0.755799D+00 -0.593543D+00 -0.574195D+00
                61            62            63            64            65 
      1  -0.180581D+01 -0.287183D+00  0.229724D+01  0.221846D+01  0.275864D+00
      2  -0.287183D+00  0.583201D+00  0.251961D+00  0.275864D+00  0.875688D+00
      3   0.229724D+01  0.251961D+00 -0.318928D+01  0.236046D+01  0.931520D+00
                66            67            68            69            70 
      1   0.236046D+01  0.229401D+00  0.115181D+01  0.746789D+00  0.336612D+01
      2   0.931520D+00  0.115181D+01  0.154950D+01  0.129761D+01  0.102011D+01
      3   0.230809D+01  0.746789D+00  0.129761D+01  0.114456D+01  0.306094D+01
                71            72            73            74            75 
      1   0.102011D+01  0.306094D+01  0.569015D+00 -0.622224D+00  0.588620D+00
      2   0.168339D+01  0.190934D+01 -0.622224D+00 -0.377111D+00 -0.118505D+00
      3   0.190934D+01  0.741480D+01  0.588620D+00 -0.118505D+00 -0.272471D+00
                76            77            78            79            80 
      1  -0.180871D+01 -0.428871D+00 -0.646180D+00  0.482794D+00 -0.127370D+00
      2  -0.428871D+00 -0.351708D+01  0.274000D+01 -0.127370D+00  0.182022D+01
      3  -0.646180D+00  0.274000D+01 -0.443387D+01 -0.263794D+00 -0.219109D+01
                81            82            83            84            85 
      1  -0.263794D+00 -0.269236D+01  0.141735D+01  0.143330D+01  0.225720D+01
      2  -0.219109D+01  0.141735D+01 -0.147682D+01 -0.144173D+01 -0.145870D+01
      3   0.401776D+01  0.143330D+01 -0.144173D+01 -0.277687D+01 -0.127569D+01
                86            87            88            89            90 
      1  -0.145870D+01 -0.127569D+01  0.100406D+01 -0.979123D+00 -0.211003D+01
      2   0.312247D+01  0.260158D+01 -0.979123D+00  0.147948D+01  0.152987D+01
      3   0.260158D+01  0.258013D+01 -0.211003D+01  0.152987D+01  0.302890D+01
                91            92            93            94            95 
      1   0.876290D+00  0.148994D+01  0.117495D-01  0.359293D+01 -0.958474D+00
      2   0.148994D+01 -0.209794D+00 -0.371202D+00 -0.958474D+00  0.475479D+01
      3   0.117495D-01 -0.371202D+00  0.314335D+00 -0.136758D+01 -0.511011D+00
                96            97            98            99           100 
      1  -0.136758D+01 -0.474373D+00 -0.456172D+00  0.696258D+00 -0.295859D+01
      2  -0.511011D+00 -0.456172D+00 -0.759913D+00  0.643556D+00 -0.924423D+00
      3   0.146639D+01  0.696258D+00  0.643556D+00 -0.143651D+01 -0.175849D+01
               101           102           103           104           105 
      1  -0.924423D+00 -0.175849D+01 -0.989477D+00 -0.166004D+01  0.788275D-01
      2  -0.284346D+01  0.300554D+00 -0.166004D+01 -0.134486D+00 -0.629903D+00
      3   0.300554D+00 -0.147432D+01  0.788275D-01 -0.629903D+00  0.416580D+00
               106           107           108           109           110 
      1  -0.342460D+01 -0.524413D+00 -0.116755D+01  0.310667D+00  0.692799D+00
      2  -0.524413D+00 -0.221037D+01  0.988397D+00  0.692799D+00 -0.109015D+01
      3  -0.116755D+01  0.988397D+00 -0.288125D+01 -0.642152D-01 -0.786096D-01
               111           112           113           114           115 
      1  -0.642152D-01  0.148622D+01 -0.986414D+00 -0.248509D+00  0.648800D+00
      2  -0.786096D-01 -0.986414D+00  0.874093D+01  0.208098D+01 -0.696098D-01
      3   0.478160D-01 -0.248509D+00  0.208098D+01  0.159992D+01 -0.100146D+00
               116           117           118           119           120 
      1  -0.696098D-01 -0.100146D+00  0.194701D+01 -0.171856D+01 -0.299247D+00
      2   0.394912D+01  0.187381D+01 -0.171856D+01  0.263381D+01  0.755493D+00
      3   0.187381D+01  0.139777D+01 -0.299247D+00  0.755493D+00  0.929578D+00
               121           122           123           124           125 
      1  -0.275702D+01  0.161172D+01  0.640530D+00 -0.603365D-01  0.403857D+00
      2   0.161172D+01 -0.542883D+01 -0.248390D+01  0.403857D+00 -0.244325D+01
      3   0.640530D+00 -0.248390D+01 -0.211715D+01  0.412092D+00 -0.131769D+01
               126 
      1   0.412092D+00
      2  -0.131769D+01
      3  -0.161244D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.330724D+01  0.600344D+00  0.485990D+01 -0.205207D+01 -0.132863D+01
      2   0.566002D+01  0.182618D+01 -0.496523D+01  0.130064D+01  0.262665D+01
      3  -0.241432D+01  0.110776D+01  0.147323D+01  0.789202D+01  0.490523D+01
                 6             7             8             9            10 
      1  -0.968350D+01  0.400477D+01 -0.106072D+01  0.462040D+01 -0.372563D+01
      2  -0.824174D+01 -0.140405D+02 -0.517199D+01 -0.114246D+02  0.110409D+02
      3  -0.253455D+01  0.339540D+01 -0.493237D+00  0.214772D+01  0.449387D+01
                11            12            13            14            15 
      1   0.837061D+00 -0.347137D+01 -0.207534D+01 -0.675617D+01 -0.116871D+02
      2   0.640449D+01  0.220329D+02  0.693264D+01 -0.676596D+00  0.436988D+00
      3  -0.176561D+02 -0.241472D+01  0.334336D+00  0.101864D+02  0.301783D+01
                16            17            18            19            20 
      1   0.172135D+00  0.558238D+01 -0.943896D+00  0.450256D+01 -0.144257D+00
      2   0.178139D+01 -0.366981D+00  0.110978D+02 -0.620479D+01 -0.447545D+01
      3  -0.371639D+01  0.313137D+01  0.809501D+00 -0.791738D+00 -0.274583D+01
                21            22            23            24            25 
      1  -0.721780D+00 -0.369789D+00 -0.103732D+01  0.172224D+01  0.655919D+00
      2   0.139262D+01 -0.647166D+01  0.124792D+00 -0.128833D+01 -0.983207D+00
      3  -0.663282D+00  0.398051D+01  0.393900D+01  0.545923D+00  0.111994D+01
                26            27            28            29            30 
      1   0.679599D+01 -0.208759D+01 -0.585077D+01 -0.328493D+01 -0.414578D+01
      2  -0.170316D+01  0.935517D+00  0.325482D+01 -0.118289D+00  0.751530D+01
      3  -0.161181D+01 -0.791201D+00  0.580844D+01 -0.402650D+01  0.430653D+01
                31            32            33            34            35 
      1  -0.140773D+01  0.108832D+02 -0.333891D+01 -0.586702D+01  0.448691D+01
      2   0.197136D+01 -0.189443D+01  0.697450D+00  0.864198D+00  0.223835D+01
      3   0.446923D+01  0.367388D+01  0.214969D+01  0.505538D+01  0.609823D+01
                36            37            38            39            40 
      1   0.128815D+01 -0.114471D+01  0.342879D+01  0.931714D+00  0.357412D+01
      2  -0.994217D+00 -0.131197D+02  0.381056D+01 -0.362733D+00 -0.962576D+00
      3   0.373648D+01  0.725177D+01 -0.676296D+01 -0.102530D+01 -0.867185D+01
                41            42            43            44            45 
      1   0.161157D+01  0.563704D+01 -0.279808D+01  0.690986D+01 -0.240752D+01
      2   0.579635D+00  0.266229D+01 -0.128486D+02  0.361426D+01  0.941422D+01
      3  -0.101019D+02 -0.119085D+01  0.184701D+01 -0.225810D+01  0.248887D+00
                46            47            48            49            50 
      1   0.837490D+00 -0.283416D+00  0.331939D+00  0.849719D+00 -0.235545D+01
      2   0.311887D+01 -0.195969D+01  0.255694D+01  0.280514D+01  0.298489D+00
      3   0.421095D+01 -0.101369D+01  0.823999D+00  0.139308D+02  0.176802D+02
                51            52            53            54            55 
      1  -0.113020D+02  0.395366D+00  0.208496D+00  0.223853D+01  0.361880D+00
      2  -0.471298D+01 -0.745878D+00 -0.531008D+01  0.809394D+00  0.195211D+01
      3  -0.216667D+01 -0.122268D+01 -0.111984D+01  0.478787D+01 -0.977251D+00
                56            57            58            59            60 
      1  -0.413167D+01 -0.136149D+01 -0.409776D+01  0.774386D+01 -0.265346D+01
      2  -0.199063D+01  0.683803D+01 -0.959671D+00  0.803325D+00 -0.168146D+01
      3  -0.908585D+01  0.943498D+00 -0.642608D+01  0.153180D+02  0.187966D+01
                61            62            63            64            65 
      1   0.137350D+01  0.288973D+01  0.155033D+00 -0.912832D+00  0.135538D+01
      2   0.438819D+01 -0.133222D+01 -0.985983D+01 -0.153549D+01 -0.292562D+00
      3  -0.582588D+00  0.266776D+01 -0.125489D+01  0.128473D+01 -0.164087D+01
                66            67            68            69            70 
      1  -0.853237D+00  0.837481D+00  0.205672D+01 -0.637994D+00 -0.249525D+00
      2   0.303502D+00  0.416522D+00 -0.905595D+00  0.480704D+00 -0.466009D+01
      3   0.130930D+01  0.644515D+00 -0.108905D+01 -0.203472D+00  0.142352D+01
                71            72            73            74            75 
      1   0.239058D+01 -0.232094D+01 -0.784064D+00  0.565166D+00 -0.500858D+00
      2  -0.387722D+00  0.460663D+00 -0.326607D+01  0.675422D+00  0.512118D+00
      3  -0.842520D+00  0.861036D+00 -0.131285D+01 -0.830815D+00 -0.318385D+00
                76            77            78            79            80 
      1   0.297249D+00 -0.586178D+01  0.321591D+01 -0.436580D-01  0.515880D+01
      2   0.412225D+01 -0.263583D+01  0.579402D+01 -0.248830D+01  0.214374D+01
      3   0.197579D+01 -0.535563D+01  0.373304D+01 -0.714495D+00  0.198320D+01
                81            82            83            84            85 
      1  -0.329301D+01  0.178485D+01 -0.173824D+01 -0.918782D+00 -0.141326D+01
      2  -0.281310D+01  0.177961D+01 -0.539981D-01  0.304528D+01 -0.284579D+01
      3  -0.269275D+01  0.959805D+00 -0.334757D+01 -0.187760D+01  0.509077D+00
                86            87            88            89            90 
      1   0.386989D+01  0.127307D+01 -0.890155D+00  0.356319D+01  0.280828D+00
      2  -0.124484D+01 -0.181589D+01 -0.869423D+00 -0.616081D+00 -0.734518D+00
      3   0.394084D+01  0.307343D+01 -0.426487D+00  0.187816D+01  0.138108D+01
                91            92            93            94            95 
      1  -0.146209D+01  0.306230D+01 -0.926126D+00  0.400640D+01 -0.908708D+01
      2  -0.173330D+01  0.901561D+00  0.396752D-02  0.102604D+01 -0.346100D+01
      3  -0.103550D+01  0.336636D+01  0.977821D+00  0.786064D+01 -0.186485D+02
                96            97            98            99           100 
      1   0.107039D+00 -0.750912D+00  0.183507D+01  0.712997D+00  0.696395D+01
      2   0.330489D+01 -0.106057D+01  0.174587D+01 -0.789417D+00 -0.492802D+01
      3   0.115816D-01 -0.974057D-02  0.259249D+00 -0.363762D+00 -0.101942D+02
               101           102           103           104           105 
      1   0.246318D+01  0.541162D+01  0.206944D+01  0.211216D+01 -0.369760D+00
      2  -0.127396D+01 -0.266230D+01 -0.226540D+01 -0.263265D+01 -0.733029D+00
      3  -0.419734D+01 -0.466548D+01 -0.255527D+01 -0.338896D+01  0.267711D+00
               106           107           108           109           110 
      1   0.524768D+01  0.109595D+01  0.567532D+01  0.750825D+00  0.605927D+00
      2  -0.590266D+01 -0.150369D+01 -0.140755D+01  0.195792D+00  0.142184D+00
      3  -0.906857D+01 -0.107809D+01 -0.322972D+01 -0.184659D+00  0.119284D+01
               111           112           113           114           115 
      1   0.280483D+00  0.129185D+01 -0.662203D+01 -0.585483D+01  0.362949D+00
      2   0.268882D-01 -0.230452D+00  0.174061D+01  0.824380D+00 -0.701422D+00
      3  -0.407569D+00  0.598570D+01 -0.694423D+01 -0.241617D+01  0.236163D+01
               116           117           118           119           120 
      1  -0.437340D+01 -0.397460D+01  0.198577D+01 -0.333563D+01  0.108378D+01
      2   0.155423D+01  0.903049D+00  0.362934D+01 -0.379809D+01 -0.163563D+01
      3  -0.279455D+01 -0.166774D+01 -0.864676D+01  0.717083D+01  0.173826D+01
               121           122           123           124           125 
      1  -0.135442D+01  0.497334D+01 -0.102941D+01 -0.652537D-01  0.298686D+01
      2  -0.483904D+01  0.727744D+01  0.427271D+01 -0.249219D+01  0.354370D+01
      3   0.982969D+01 -0.125636D+02 -0.631229D+01  0.538078D+00 -0.581983D+01
               126 
      1  -0.144020D+00
      2   0.454773D+01
      3  -0.397251D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.581346D+01 -0.756064D+00 -0.655894D+01 -0.214253D+01  0.558118D+01
      2  -0.105644D+01 -0.475538D+01  0.612948D+01 -0.207273D+01  0.175483D+01
      3   0.686989D+01  0.551145D+01  0.429462D+00  0.421526D+01 -0.733600D+01
      4   0.319150D+01 -0.593730D+01 -0.588072D+01 -0.257700D+01  0.273796D+01
      5  -0.414599D+01 -0.862425D+01 -0.168216D+02 -0.125515D+02  0.117852D+02
      6  -0.303357D+01  0.419493D+01  0.396565D+01  0.584256D+01  0.144290D+01
                 6             7             8             9            10 
      1  -0.878259D+01 -0.230613D+02 -0.103598D+02 -0.955851D+01  0.590856D+02
      2   0.495363D+01  0.970780D+01  0.742992D+00  0.539593D+01 -0.317210D+02
      3   0.382896D+01  0.133535D+02  0.961684D+01  0.416258D+01 -0.273647D+02
      4   0.834039D+01 -0.140187D+02 -0.168979D+01  0.297470D+00  0.599528D+01
      5  -0.380994D+01 -0.163488D+02 -0.641927D+00 -0.885578D+01  0.157104D+02
      6  -0.116288D+02  0.298365D+01 -0.965978D+01  0.154019D+01 -0.131988D+01
                11            12            13            14            15 
      1  -0.367838D+01  0.811391D+01 -0.152286D+02  0.129676D+02  0.561383D+01
      2   0.775546D+01 -0.654400D+01  0.152059D+02  0.588613D+01 -0.616684D+01
      3  -0.407708D+01 -0.156991D+01  0.226753D-01 -0.188538D+02  0.553006D+00
      4   0.276272D+02  0.193837D+01  0.322069D+02  0.113263D+01  0.145963D+01
      5   0.417320D-01  0.342904D+02  0.142761D+01  0.231524D+01  0.347240D+01
      6   0.665663D+01  0.421330D+01  0.537199D+01 -0.908333D+01  0.113160D+02
                16            17            18            19            20 
      1   0.110213D+02  0.865558D+01  0.106011D+02 -0.154042D+01  0.620446D+01
      2  -0.110897D+02 -0.528354D+01 -0.252155D+02  0.949701D+01 -0.138887D+01
      3   0.683690D-01 -0.337204D+01  0.146144D+02 -0.795658D+01 -0.481559D+01
      4   0.677432D+01 -0.148947D+01  0.458730D+01  0.253596D+01  0.139779D+01
      5   0.393078D+02  0.733468D+01  0.283303D+02 -0.343770D+01 -0.122702D+01
      6   0.705918D+01  0.102141D+02 -0.367055D+00 -0.397484D+01 -0.553690D+01
                21            22            23            24            25 
      1   0.687138D+01 -0.113171D+00 -0.462900D+00 -0.103195D+00  0.123693D+02
      2   0.221125D+01  0.227904D+01 -0.331044D+01  0.304872D+01 -0.107096D+01
      3  -0.908263D+01 -0.216587D+01  0.377334D+01 -0.294552D+01 -0.112983D+02
      4  -0.367194D+01 -0.633866D+01 -0.727952D+01  0.201979D+01  0.476358D+01
      5  -0.642992D+01  0.280452D+01 -0.606151D+00 -0.738239D+01 -0.344221D+01
      6  -0.660267D+01 -0.184841D+01  0.191310D+01 -0.290872D+01 -0.552980D+01
                26            27            28            29            30 
      1   0.141104D+01  0.727634D+01  0.635540D+01 -0.109119D+02 -0.295072D+00
      2   0.108106D+02  0.601664D+01 -0.579781D-02  0.150166D+02  0.636773D+00
      3  -0.122216D+02 -0.132930D+02 -0.634961D+01 -0.410472D+01 -0.341701D+00
      4   0.170654D+01 -0.575728D+01  0.103599D+01  0.420306D+01  0.581163D+01
      5  -0.368491D+01 -0.963887D+01 -0.213906D+01  0.738056D+00  0.487572D+01
      6  -0.245796D+01 -0.892772D+01  0.521720D+01 -0.595968D+00  0.721098D+01
                31            32            33            34            35 
      1  -0.570979D+01  0.881343D+00  0.933109D+01 -0.301043D+01  0.101829D+02
      2   0.994495D+01 -0.166533D+01 -0.144050D+02  0.419284D+01 -0.195008D+02
      3  -0.423516D+01  0.783983D+00  0.507387D+01 -0.118240D+01  0.931791D+01
      4   0.912038D+01  0.108580D+02 -0.406297D+01  0.455999D+01 -0.474784D+01
      5  -0.729012D+00 -0.267233D+01  0.285008D+01  0.474345D+01  0.115677D+01
      6  -0.182334D+01 -0.180487D+02  0.487135D+01  0.567910D+01  0.743464D+00
                36            37            38            39            40 
      1   0.119414D+01 -0.587615D+01 -0.547919D+01  0.155325D+01 -0.267451D+01
      2  -0.337974D+01  0.762551D+00  0.253259D+01 -0.867410D+01  0.449953D+01
      3   0.218560D+01  0.511360D+01  0.294660D+01  0.712085D+01 -0.182502D+01
      4   0.630755D+01 -0.501219D+01  0.189434D+01  0.225739D+01 -0.990169D+01
      5  -0.450433D+01  0.799687D+01  0.253615D+01 -0.296960D+01  0.470871D+01
      6  -0.249886D+01  0.494947D+00 -0.492920D+00  0.404169D+00 -0.208458D+01
                41            42            43            44            45 
      1   0.171888D+02 -0.240325D+01  0.133724D+02  0.253452D+01 -0.445638D+00
      2  -0.283858D+02 -0.992073D+00 -0.107882D+02  0.238425D+01 -0.749739D+00
      3   0.111970D+02  0.339533D+01 -0.258422D+01 -0.491877D+01  0.119538D+01
      4   0.191403D+02 -0.509901D+01  0.871286D+01 -0.276118D+01  0.217505D+01
      5  -0.829450D+01  0.422325D+01 -0.695488D+00  0.183380D+01  0.930139D+01
      6   0.731148D+01 -0.984282D+01  0.298497D+01  0.608932D+00  0.259717D+01
                46            47            48            49            50 
      1   0.391329D+01 -0.693483D+01  0.106729D+01 -0.567514D+01 -0.295892D+02
      2   0.318687D+01  0.315770D+01  0.346955D+00 -0.463981D+00  0.534982D+02
      3  -0.710016D+01  0.377712D+01 -0.141425D+01  0.613912D+01 -0.239090D+02
      4  -0.837369D+01  0.138055D+02 -0.351609D+01  0.187333D+02 -0.355336D+02
      5   0.373149D+01 -0.358789D+01  0.550399D+01 -0.264932D+01  0.108420D+02
      6  -0.222886D+01  0.171512D+01 -0.179923D+01  0.325106D+01 -0.113143D+02
                51            52            53            54            55 
      1   0.669814D+01  0.730859D+00  0.327453D+01 -0.763007D+01  0.416297D+02
      2  -0.510958D+01  0.140255D+01 -0.442664D+01  0.455625D+01 -0.267707D+02
      3  -0.158856D+01 -0.213340D+01  0.115211D+01  0.307382D+01 -0.148590D+02
      4   0.656065D+01 -0.446381D+01  0.502851D+01 -0.890986D+01  0.295302D+01
      5  -0.958034D+01  0.485028D+01 -0.979331D+01  0.634309D+01 -0.161813D+02
      6   0.163243D+02 -0.298571D+01  0.152704D+02 -0.679910D+01  0.110524D+01
                56            57            58            59            60 
      1   0.276845D+01 -0.866220D+01 -0.675892D+01  0.838562D+01  0.244094D+01
      2  -0.144147D+00  0.106881D+02  0.600279D+01 -0.446638D+01 -0.207862D+01
      3  -0.262430D+01 -0.202587D+01  0.756130D+00 -0.391924D+01 -0.362324D+00
      4   0.926488D+01 -0.492969D+00  0.136629D+02 -0.100130D+02 -0.285571D+01
      5  -0.377032D+00  0.155302D+02  0.355095D+01 -0.359850D+01 -0.325529D+01
      6  -0.883196D+00  0.511424D+00 -0.252525D+01  0.322979D+01  0.639976D+01
                61            62            63            64            65 
      1  -0.114368D+02 -0.187269D+01  0.352538D+01  0.275676D+01 -0.138746D+01
      2   0.109383D+02  0.416334D+00 -0.142660D+02 -0.659590D+01  0.112054D+00
      3   0.498471D+00  0.145636D+01  0.107406D+02  0.383913D+01  0.127541D+01
      4  -0.364355D+01 -0.972470D+00  0.442128D+00  0.389299D+01  0.556955D+01
      5   0.162451D+02  0.140587D+01 -0.197949D+02  0.905838D+01  0.347906D+01
      6  -0.116005D+01  0.395011D+01  0.125909D+01  0.478423D+01  0.411408D+01
                66            67            68            69            70 
      1  -0.214915D+01 -0.109120D+01 -0.461529D+01 -0.343152D+01 -0.443100D+01
      2  -0.560477D+01  0.253421D+00  0.175760D+01  0.998166D+00 -0.414904D+01
      3   0.775392D+01  0.837778D+00  0.285769D+01  0.243336D+01  0.858004D+01
      4   0.407374D+01  0.486755D+01  0.338706D+01  0.320772D+01  0.265514D+01
      5   0.120290D+02  0.233546D+01  0.313910D+01  0.313760D+01  0.102324D+02
      6   0.530168D+01  0.407587D+01  0.516826D+01  0.878850D+01  0.561653D+01
                71            72            73            74            75 
      1  -0.497191D+01 -0.157448D+02  0.664646D+00  0.153486D+01 -0.219706D+01
      2  -0.139924D+01 -0.139364D+02 -0.678298D+00  0.325614D+00  0.354686D+00
      3   0.637115D+01  0.296813D+02  0.136520D-01 -0.186047D+01  0.184237D+01
      4   0.354007D+01  0.535288D+01  0.686993D+00  0.312638D+01 -0.130523D+01
      5   0.389967D+01  0.164838D+02 -0.983426D+00 -0.150725D+01  0.557338D+01
      6   0.860490D+01  0.151774D+02 -0.248204D+01  0.177117D-01 -0.407848D+00
                76            77            78            79            80 
      1   0.413295D+01 -0.764927D+01  0.117872D+02 -0.254118D+00  0.667041D+01
      2  -0.291904D+01  0.167709D+01  0.769133D-01  0.778254D+00  0.169086D+01
      3  -0.121392D+01  0.597218D+01 -0.118641D+02 -0.524136D+00 -0.836127D+01
      4   0.305962D+01  0.541342D+01 -0.411289D+01 -0.100473D-01 -0.137767D+01
      5  -0.166542D+00 -0.689666D+01  0.108385D+02  0.436137D+01  0.416465D+01
      6  -0.283285D+00 -0.127344D+02  0.136711D+02 -0.972043D+00  0.102537D+02
                81            82            83            84            85 
      1  -0.116383D+02  0.753623D+01 -0.196573D+01 -0.123608D+01 -0.219188D+01
      2  -0.646920D+01 -0.569860D+01  0.213019D+01  0.495252D+01  0.222626D+01
      3   0.181075D+02 -0.183763D+01 -0.164462D+00 -0.371644D+01 -0.343836D-01
      4   0.175611D+01 -0.735156D+01  0.844790D+01  0.705897D+01  0.822842D+01
      5  -0.809324D+01 -0.109226D+02  0.838113D+01  0.148421D+02  0.882149D+01
      6  -0.117765D+02  0.539006D+01 -0.428296D+01 -0.432640D+01 -0.560887D+01
                86            87            88            89            90 
      1  -0.400585D+01 -0.324892D+01  0.955586D+00 -0.169845D+01 -0.387604D+01
      2   0.328143D+01 -0.175180D+01  0.361985D+01 -0.193527D+01 -0.715588D+01
      3   0.724426D+00  0.500072D+01 -0.457543D+01  0.363371D+01  0.110319D+02
      4  -0.120816D+02 -0.941023D+01  0.487967D+01 -0.469200D+01 -0.679766D+01
      5  -0.109602D+02 -0.111189D+02  0.112872D+02 -0.723610D+01 -0.131841D+02
      6   0.105362D+02  0.106951D+02 -0.399763D+01  0.854605D+01  0.857973D+01
                91            92            93            94            95 
      1  -0.781457D+00  0.395112D+01 -0.482686D-01  0.148884D+02 -0.506201D+01
      2   0.290088D+01 -0.155402D+01 -0.121858D+01 -0.109656D+02  0.530463D+01
      3  -0.211943D+01 -0.239710D+01  0.126685D+01 -0.392280D+01 -0.242626D+00
      4   0.768289D+01  0.143083D+01 -0.184304D+01  0.828970D+00  0.158235D+02
      5   0.536624D+00 -0.252793D+01 -0.936023D-01 -0.762702D+01 -0.138584D+01
      6  -0.157476D+01 -0.696570D+00  0.235829D+01 -0.145805D+01 -0.512470D+01
                96            97            98            99           100 
      1  -0.345633D+01  0.112632D+01  0.454986D+00 -0.958200D+00  0.219044D+01
      2   0.416473D+01 -0.357635D+00  0.341774D+00 -0.145323D+01 -0.374249D+01
      3  -0.708396D+00 -0.768683D+00 -0.796760D+00  0.241143D+01  0.155205D+01
      4  -0.338661D+01 -0.223818D+01 -0.286276D+01  0.323302D+01 -0.466084D+01
      5   0.744165D+01  0.313792D+01  0.286906D+01 -0.344984D+01  0.275145D+01
      6   0.135505D+01  0.169836D+01  0.288601D+01 -0.320501D+01 -0.504927D+01
               101           102           103           104           105 
      1   0.815523D+01 -0.700648D+00  0.343510D+01  0.127884D+01  0.167195D+01
      2  -0.110035D+02  0.248274D-01 -0.506457D+01  0.248125D+00 -0.174566D+01
      3   0.284831D+01  0.675821D+00  0.162947D+01 -0.152697D+01  0.737118D-01
      4   0.454009D+01 -0.464083D+01  0.350762D+01 -0.232722D+01  0.174428D+01
      5  -0.177761D+00  0.128822D+01  0.221881D+00  0.182753D+01 -0.164988D+01
      6   0.284421D+01 -0.753155D+01  0.241398D+01 -0.166352D+01  0.249092D+01
               106           107           108           109           110 
      1  -0.276066D+00  0.572800D+01 -0.493492D+01 -0.648054D+00  0.352613D+01
      2  -0.229498D+01 -0.683779D+01 -0.455758D+00  0.207065D+01 -0.659206D+01
      3   0.257105D+01  0.110978D+01  0.539068D+01 -0.142259D+01  0.306593D+01
      4  -0.782833D+01  0.199336D+01 -0.511492D+01  0.132619D+00  0.485454D+01
      5   0.265597D+01 -0.126905D+01  0.274643D+01 -0.552041D+00  0.102248D+01
      6  -0.512299D+01  0.453105D+01 -0.101387D+02  0.531589D+00 -0.118872D+01
               111           112           113           114           115 
      1   0.157325D+00  0.253488D+01 -0.273252D+02 -0.708102D+01  0.212244D+00
      2   0.271678D-02 -0.479349D+01  0.471288D+02  0.115068D+02 -0.372906D+00
      3  -0.160041D+00  0.225861D+01 -0.198036D+02 -0.442582D+01  0.160663D+00
      4   0.847557D+00  0.508113D+01 -0.559665D+00 -0.402036D+00  0.141012D+01
      5   0.183160D+01 -0.283359D+00  0.118301D+01  0.708401D+00  0.146786D+01
      6  -0.455860D+00 -0.160194D+01  0.155133D+02  0.926347D+01 -0.505019D+00
               116           117           118           119           120 
      1  -0.126458D+02 -0.696976D+01 -0.343241D+01  0.910294D+01  0.368099D+01
      2   0.191903D+02  0.793335D+01  0.483111D+01 -0.765703D+01 -0.310419D+01
      3  -0.654446D+01 -0.963589D+00 -0.139870D+01 -0.144591D+01 -0.576800D+00
      4   0.836748D+00  0.444585D+00  0.388276D+00 -0.328004D+01 -0.103548D+01
      5   0.104922D+01  0.579984D+00 -0.172553D+01  0.143188D+01 -0.241586D+00
      6   0.135819D+02  0.850715D+01  0.213997D+01 -0.586544D+01 -0.284195D+01
               121           122           123           124           125 
      1   0.145296D+02 -0.188703D+02 -0.877052D+01  0.288323D+01 -0.709753D+01
      2  -0.100029D+02  0.198842D+02  0.696904D+01 -0.314513D+00  0.407200D+01
      3  -0.452671D+01 -0.101396D+01  0.180148D+01 -0.256872D+01  0.302553D+01
      4  -0.949260D+00  0.123989D+02  0.569455D+01 -0.155308D+01  0.748795D+01
      5   0.136120D+00  0.332215D+01  0.412486D+01  0.172734D+01  0.200881D+01
      6  -0.402419D+01  0.124552D+02  0.841299D+01 -0.265130D+01  0.987190D+01
               126 
      1  -0.697952D+01
      2   0.304050D+01
      3   0.393902D+01
      4   0.198362D+01
      5   0.343361D+01
      6   0.565363D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:17:06 2021, MaxMem=  5368709120 cpu:            4923.1 elap:             617.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.05913 -19.31535 -19.26149 -14.47496 -10.43448
 Alpha  occ. eigenvalues --  -10.36834 -10.34831  -8.07727  -6.02653  -6.02296
 Alpha  occ. eigenvalues --   -6.01669  -1.21613  -1.13309  -1.03362  -0.90918
 Alpha  occ. eigenvalues --   -0.82664  -0.74435  -0.69760  -0.64769  -0.60997
 Alpha  occ. eigenvalues --   -0.58088  -0.55650  -0.54855  -0.52171  -0.51035
 Alpha  occ. eigenvalues --   -0.48514  -0.45852  -0.42461  -0.40851  -0.39521
 Alpha  occ. eigenvalues --   -0.35655  -0.33925
 Alpha virt. eigenvalues --    0.02190   0.04163   0.04813   0.05133   0.06653
 Alpha virt. eigenvalues --    0.07119   0.07296   0.07919   0.08606   0.10422
 Alpha virt. eigenvalues --    0.10796   0.11734   0.12722   0.13451   0.13845
 Alpha virt. eigenvalues --    0.14476   0.15075   0.15409   0.15686   0.15941
 Alpha virt. eigenvalues --    0.16403   0.17439   0.18465   0.19024   0.19509
 Alpha virt. eigenvalues --    0.20641   0.21249   0.23111   0.23412   0.25387
 Alpha virt. eigenvalues --    0.25442   0.26307   0.26441   0.26977   0.28676
 Alpha virt. eigenvalues --    0.29143   0.29674   0.31466   0.32053   0.32223
 Alpha virt. eigenvalues --    0.33152   0.33806   0.34820   0.35283   0.36225
 Alpha virt. eigenvalues --    0.37553   0.38583   0.39771   0.40584   0.41157
 Alpha virt. eigenvalues --    0.41524   0.42894   0.43241   0.45813   0.46438
 Alpha virt. eigenvalues --    0.47176   0.48149   0.49096   0.50203   0.50972
 Alpha virt. eigenvalues --    0.51727   0.52476   0.53358   0.53907   0.54576
 Alpha virt. eigenvalues --    0.55863   0.56463   0.57403   0.59055   0.60600
 Alpha virt. eigenvalues --    0.61830   0.62459   0.63757   0.64257   0.65222
 Alpha virt. eigenvalues --    0.66755   0.67851   0.69977   0.70566   0.70919
 Alpha virt. eigenvalues --    0.71794   0.73951   0.75006   0.75801   0.76531
 Alpha virt. eigenvalues --    0.78038   0.79549   0.80598   0.83190   0.84253
 Alpha virt. eigenvalues --    0.85550   0.87515   0.88034   0.90787   0.91946
 Alpha virt. eigenvalues --    0.93444   0.94518   0.96724   0.99206   1.00107
 Alpha virt. eigenvalues --    1.01263   1.02970   1.04153   1.04684   1.05562
 Alpha virt. eigenvalues --    1.07898   1.08413   1.10099   1.10380   1.13748
 Alpha virt. eigenvalues --    1.14840   1.15192   1.17316   1.19115   1.20071
 Alpha virt. eigenvalues --    1.22502   1.23580   1.26629   1.29097   1.31380
 Alpha virt. eigenvalues --    1.34418   1.35916   1.38846   1.40019   1.41750
 Alpha virt. eigenvalues --    1.45792   1.47183   1.52203   1.56489   1.56685
 Alpha virt. eigenvalues --    1.57397   1.60618   1.63583   1.65743   1.66930
 Alpha virt. eigenvalues --    1.69454   1.71382   1.75049   1.77255   1.81633
 Alpha virt. eigenvalues --    1.82698   1.84589   1.84912   1.86852   1.88950
 Alpha virt. eigenvalues --    1.91053   1.91858   1.96388   1.97921   1.98623
 Alpha virt. eigenvalues --    2.02537   2.05252   2.07322   2.10460   2.11725
 Alpha virt. eigenvalues --    2.15220   2.16445   2.19542   2.20461   2.22213
 Alpha virt. eigenvalues --    2.24224   2.27258   2.28640   2.30753   2.32450
 Alpha virt. eigenvalues --    2.35805   2.38872   2.45199   2.45563   2.51029
 Alpha virt. eigenvalues --    2.55279   2.60511   2.63429   2.67073   2.70312
 Alpha virt. eigenvalues --    2.73413   2.80409   2.85566   2.87418   2.93940
 Alpha virt. eigenvalues --    3.01391   3.10477   3.13200   3.22456   3.34522
 Alpha virt. eigenvalues --    3.43012   3.45033   3.46731   3.49527   3.52070
 Alpha virt. eigenvalues --    3.54609   3.57160   3.64869   3.78656   3.89387
 Alpha virt. eigenvalues --    4.05017
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.901541   0.253298   0.377760  -0.099409  -0.225033   0.006348
     2  S    0.253298  15.724240  -0.073930  -0.056315  -0.027681  -0.004950
     3  C    0.377760  -0.073930   5.963138   0.009958  -0.551784  -0.049178
     4  N   -0.099409  -0.056315   0.009958   6.779089   0.055372  -0.007953
     5  C   -0.225033  -0.027681  -0.551784   0.055372   5.943905   0.358199
     6  O    0.006348  -0.004950  -0.049178  -0.007953   0.358199   8.255360
     7  O   -0.026093  -0.000885   0.165319  -0.056674  -0.130958  -0.095709
     8  H   -0.019849   0.032294   0.008741  -0.062072  -0.094655   0.010018
     9  H    0.135251  -0.060678   0.052008   0.002546  -0.068165   0.010495
    10  H    0.237145  -0.245511   0.165459   0.010704  -0.002357   0.004029
    11  H    0.004279  -0.001153  -0.090733   0.056240  -0.050840   0.017899
    12  H   -0.099041   0.030927  -0.126304   0.413935   0.055836   0.001031
    13  H    0.010271   0.002440   0.053510   0.320595  -0.036329   0.000313
    14  H   -0.039260   0.249733   0.026399  -0.012468  -0.007450   0.020289
               7          8          9         10         11         12
     1  C   -0.026093  -0.019849   0.135251   0.237145   0.004279  -0.099041
     2  S   -0.000885   0.032294  -0.060678  -0.245511  -0.001153   0.030927
     3  C    0.165319   0.008741   0.052008   0.165459  -0.090733  -0.126304
     4  N   -0.056674  -0.062072   0.002546   0.010704   0.056240   0.413935
     5  C   -0.130958  -0.094655  -0.068165  -0.002357  -0.050840   0.055836
     6  O   -0.095709   0.010018   0.010495   0.004029   0.017899   0.001031
     7  O    8.317209   0.008751   0.008438  -0.000147   0.269011  -0.003447
     8  H    0.008751   1.439039  -0.014709  -0.083527  -0.000230   0.032963
     9  H    0.008438  -0.014709   1.573461  -0.316530  -0.000870   0.009535
    10  H   -0.000147  -0.083527  -0.316530   1.402558  -0.000070  -0.024768
    11  H    0.269011  -0.000230  -0.000870  -0.000070   0.603591  -0.004431
    12  H   -0.003447   0.032963   0.009535  -0.024768  -0.004431   0.803003
    13  H    0.004598  -0.083682  -0.003515   0.007588  -0.004065  -0.135966
    14  H   -0.001661   0.005919  -0.053172   0.029182  -0.000658  -0.005036
              13         14
     1  C    0.010271  -0.039260
     2  S    0.002440   0.249733
     3  C    0.053510   0.026399
     4  N    0.320595  -0.012468
     5  C   -0.036329  -0.007450
     6  O    0.000313   0.020289
     7  O    0.004598  -0.001661
     8  H   -0.083682   0.005919
     9  H   -0.003515  -0.053172
    10  H    0.007588   0.029182
    11  H   -0.004065  -0.000658
    12  H   -0.135966  -0.005036
    13  H    0.836058  -0.000449
    14  H   -0.000449   0.709255
 Mulliken charges:
               1
     1  C    0.582792
     2  S    0.178170
     3  C    0.069638
     4  N   -0.353549
     5  C    0.781942
     6  O   -0.526192
     7  O   -0.457751
     8  H   -0.178999
     9  H   -0.274094
    10  H   -0.183755
    11  H    0.202029
    12  H    0.051763
    13  H    0.028631
    14  H    0.079376
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.124943
     2  S    0.257546
     3  C   -0.109362
     4  N   -0.273155
     5  C    0.781942
     6  O   -0.526192
     7  O   -0.255722
 Electronic spatial extent (au):  <R**2>=            949.2680
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.3115    Y=              4.1199    Z=              1.5032  Tot=              4.5775
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.1936   YY=            -48.9369   ZZ=            -46.8467
   XY=              3.8324   XZ=              0.3255   YZ=              2.8817
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2012   YY=              2.0555   ZZ=              4.1457
   XY=              3.8324   XZ=              0.3255   YZ=              2.8817
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             12.9997  YYY=             19.5991  ZZZ=              1.9398  XYY=             -5.5560
  XXY=              9.6810  XXZ=              5.2308  XZZ=              1.4276  YZZ=              1.8437
  YYZ=             -1.4420  XYZ=             -1.6156
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -758.7597 YYYY=           -313.5713 ZZZZ=           -182.8358 XXXY=             -1.4311
 XXXZ=             -0.5523 YYYX=              7.2843 YYYZ=             14.1154 ZZZX=             -2.7078
 ZZZY=              1.0310 XXYY=           -179.6108 XXZZ=           -144.3764 YYZZ=            -79.4326
 XXYZ=              1.0838 YYXZ=             -0.9588 ZZXY=              5.7873
 N-N= 3.858459170455D+02 E-N=-2.475780326141D+03  KE= 7.190124999025D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:17:07 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.47114558D-01 1.62828086D+00 5.51659732D-01
 Polarizability= 7.16603778D+01 2.43581861D+00 7.01116046D+01
                 6.18175180D-01 5.03304063D-01 6.28141698D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1559    0.1512        1.5477    1.5486
 2     -0.1559   -0.1512        0.2023    0.1993       -1.2894   -1.2927
 3     -1.5477   -1.5486        5.1574    5.1610       -0.2003   -0.1993
 4     -0.2023   -0.1993       -0.0000    0.0000       -1.5518   -1.5486
 5     -3.8680   -3.8683        1.5518    1.5486        0.1451    0.1512
 6      0.2003    0.1993       -0.1451   -0.1512       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.4537   -0.4537        4.6459    4.6459
 2     -0.5979   -0.5979        0.0000    0.0000        4.6459    4.6459
 3     -0.5979   -0.5979       -0.4537   -0.4537        0.0000    0.0000
 4     -0.4537   -0.4537        0.5979    0.5979       -3.8781   -3.8781
 5     -4.6459   -4.6459       15.4829   15.4829       -0.5979   -0.5979
 6    -11.6048  -11.6048        4.6459    4.6459        0.4537    0.4537
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5294    0.0000       -0.3717   -0.6049       -5.5329   -6.1945
 2     -0.6351    0.6049        0.2766   -0.7973        4.8781    5.1708
 3      5.5099    6.1945      -20.9853  -20.6439        1.1294    0.7973
 4      0.2618    0.7973        0.4349    0.0000        6.6786    6.1945
 5     15.2680   15.4731       -6.0854   -6.1945       -0.4629   -0.6049
 6     -1.0704   -0.7973        0.6331    0.6049        0.1955    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5394    0.0000        9.3298   10.1607       19.7689   19.4787
 2     -9.5618  -10.1607      -20.8865  -20.7951       16.2265   16.4310
 3    -20.5932  -19.4787       14.5785   13.0878       21.3868   20.7951
 4     20.6720   20.7951        0.8467    0.0000      -19.5327  -19.4787
 5    -30.8298  -29.5188       20.5117   19.4787       10.3232   10.1607
 6    -21.0491  -20.7951      -10.1219  -10.1607       -0.1516    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.4324    1.0518       14.3551   14.5502      -33.3515  -33.1788
 2     30.3551   29.8247       26.1159   25.9941      -32.8202  -33.1788
 3     30.1128   29.8247       15.0037   14.5502      -49.0335  -49.0902
 4    -10.6292  -11.4439      -28.9643  -28.7729       15.9402   16.5895
 5    -16.7458  -15.9114       28.3719   27.3199       29.2594   28.7729
 6    -45.8660  -43.9093       17.3307   15.9114       12.0339   11.4439
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.7064    0.0022    0.0031    0.0038    0.9987    9.8467
 Low frequencies ---   70.4698   93.1565  203.5368
 Diagonal vibrational polarizability:
       32.1487654      17.1374564      15.1913916
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.4663                93.1553               203.5364
 Red. masses --      7.2769                 6.2202                 4.3934
 Frc consts  --      0.0213                 0.0318                 0.1072
 IR Inten    --      1.9776                 4.7155                 1.7073
 RamAct Fr= 1--      1.3413                 0.8186                 0.3310
  Dep-P Fr= 1--      0.7401                 0.7113                 0.0699
  Dep-U Fr= 1--      0.8507                 0.8313                 0.1306
 Alpha2 Fr= 1--      0.0002                 0.0005                 0.0062
 Beta2  Fr= 1--      0.1902                 0.1134                 0.0072
 AlphaG Fr= 1--     -0.0004                -0.0009                 0.0055
 Gamma2 Fr= 1--      0.4871                 0.1611                 0.0287
 Delta2 Fr= 1--      0.2078                 0.0849                -0.0269
 Raman1 Fr= 1--       5.365                  3.274                  1.324
 ROA1   Fr= 1--      53.408                 18.181                  1.892
 CID1   Fr= 1--       9.955                  5.553                  1.429
 Raman2 Fr= 1--       2.282                  1.361                  0.086
 ROA2   Fr= 1--      10.027                  3.187                  0.904
 CID2   Fr= 1--       4.394                  2.342                 10.451
 Raman3 Fr= 1--       4.564                  2.722                  0.173
 ROA3   Fr= 1--      53.408                 18.181                  1.892
 CID3   Fr= 1--      11.702                  6.679                 10.940
 RC180  Fr= 1--       0.701                  0.663                 -0.739
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.10  -0.03    -0.02   0.17   0.04     0.06  -0.11   0.13
     2  16     0.04   0.10  -0.10     0.21  -0.16  -0.03     0.20   0.11   0.01
     3   6    -0.00  -0.05   0.07     0.02   0.08   0.09    -0.02   0.01   0.04
     4   7    -0.03  -0.01   0.12     0.10   0.12   0.15    -0.23  -0.10  -0.15
     5   6     0.02  -0.03   0.06    -0.13   0.02  -0.03    -0.05  -0.00   0.03
     6   8     0.26   0.02   0.32    -0.23   0.02  -0.06    -0.12  -0.01  -0.04
     7   8    -0.30  -0.07  -0.28    -0.20  -0.05  -0.13    -0.05  -0.01   0.03
     8   1    -0.05  -0.09   0.10     0.05  -0.02   0.09     0.07   0.18  -0.04
     9   1    -0.01  -0.17  -0.14    -0.12   0.29   0.24     0.15  -0.21  -0.04
    10   1    -0.03  -0.17   0.05    -0.08   0.30  -0.20     0.01  -0.24   0.24
    11   1    -0.37  -0.09  -0.30    -0.08  -0.01  -0.04    -0.08  -0.02  -0.02
    12   1    -0.16   0.10   0.24     0.10   0.22   0.15    -0.25  -0.37  -0.12
    13   1     0.19  -0.02   0.17     0.17   0.10   0.20    -0.39  -0.04  -0.28
    14   1     0.07   0.18  -0.26     0.30  -0.22   0.31     0.28   0.21  -0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    275.5753               308.5053               355.3052
 Red. masses --      2.1175                 1.3259                 1.9779
 Frc consts  --      0.0947                 0.0744                 0.1471
 IR Inten    --     22.5871                21.2824                 1.7027
 RamAct Fr= 1--      0.1727                 0.8101                 0.3399
  Dep-P Fr= 1--      0.7351                 0.4734                 0.3787
  Dep-U Fr= 1--      0.8473                 0.6426                 0.5494
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.0027
 Beta2  Fr= 1--      0.0244                 0.0868                 0.0311
 AlphaG Fr= 1--     -0.0002                 0.0023                -0.0015
 Gamma2 Fr= 1--     -0.1038                -0.1243                -0.1114
 Delta2 Fr= 1--     -0.0920                -0.0355                -0.0733
 Raman1 Fr= 1--       0.691                  3.240                  1.360
 ROA1   Fr= 1--     -12.907                -13.072                -13.046
 CID1   Fr= 1--     -18.680                 -4.034                 -9.595
 Raman2 Fr= 1--       0.293                  1.041                  0.373
 ROA2   Fr= 1--      -1.755                 -2.700                 -2.088
 CID2   Fr= 1--      -5.997                 -2.594                 -5.591
 Raman3 Fr= 1--       0.585                  2.082                  0.747
 ROA3   Fr= 1--     -12.907                -13.072                -13.046
 CID3   Fr= 1--     -22.047                 -6.278                -17.466
 RC180  Fr= 1--       0.695                  0.285                  0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.12   0.04    -0.04   0.07   0.02     0.02  -0.06  -0.01
     2  16     0.04   0.04  -0.01    -0.01  -0.01   0.02    -0.03  -0.01   0.00
     3   6    -0.02  -0.07   0.04    -0.02  -0.02   0.01     0.02   0.02   0.07
     4   7    -0.01  -0.10  -0.02     0.02  -0.05  -0.05     0.18  -0.06  -0.04
     5   6     0.01  -0.05   0.00    -0.00  -0.03   0.01    -0.00   0.04   0.06
     6   8     0.13  -0.07  -0.06     0.04  -0.05  -0.03    -0.03   0.02  -0.01
     7   8    -0.05   0.09   0.01    -0.03   0.05   0.04    -0.11   0.08  -0.02
     8   1     0.00  -0.04   0.02    -0.01  -0.01  -0.00    -0.06   0.07   0.09
     9   1    -0.29   0.21   0.20    -0.09   0.12   0.11     0.10  -0.10  -0.09
    10   1    -0.02   0.30  -0.13    -0.04   0.15  -0.08    -0.04  -0.15   0.07
    11   1    -0.14   0.08   0.09    -0.17   0.03   0.02    -0.02   0.12   0.20
    12   1     0.08  -0.22  -0.11    -0.14   0.07   0.11     0.53  -0.35  -0.39
    13   1    -0.16  -0.08  -0.09     0.34  -0.00  -0.05    -0.38  -0.02  -0.22
    14   1    -0.34  -0.38   0.48     0.57   0.50  -0.38     0.08   0.12  -0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    373.1385               497.8906               535.9470
 Red. masses --      1.4188                 3.9946                 5.8759
 Frc consts  --      0.1164                 0.5834                 0.9944
 IR Inten    --     11.6605                 6.3859                 2.0086
 RamAct Fr= 1--      0.5556                 2.7489                 3.3017
  Dep-P Fr= 1--      0.2828                 0.4888                 0.2627
  Dep-U Fr= 1--      0.4409                 0.6567                 0.4161
 Alpha2 Fr= 1--      0.0060                 0.0143                 0.0378
 Beta2  Fr= 1--      0.0408                 0.3008                 0.2290
 AlphaG Fr= 1--      0.0090                 0.0190                -0.0218
 Gamma2 Fr= 1--     -0.4511                -0.8336                 0.4517
 Delta2 Fr= 1--     -0.0842                -0.0966                 0.1315
 Raman1 Fr= 1--       2.222                 10.996                 13.207
 ROA1   Fr= 1--     -46.001                -83.116                 47.573
 CID1   Fr= 1--     -20.698                 -7.559                  3.602
 Raman2 Fr= 1--       0.490                  3.610                  2.747
 ROA2   Fr= 1--     -10.152                -19.233                  9.790
 CID2   Fr= 1--     -20.721                 -5.327                  3.563
 Raman3 Fr= 1--       0.980                  7.220                  5.495
 ROA3   Fr= 1--     -46.001                -83.116                 47.573
 CID3   Fr= 1--     -46.943                -11.512                  8.658
 RC180  Fr= 1--      -0.118                  0.313                 -0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.01     0.08   0.06  -0.02     0.07   0.06  -0.02
     2  16     0.01   0.00  -0.01    -0.08  -0.03  -0.07    -0.03  -0.02  -0.02
     3   6     0.00   0.01   0.00     0.19   0.04   0.24     0.01   0.25   0.09
     4   7     0.06  -0.03  -0.08    -0.09  -0.14   0.01    -0.06   0.25  -0.06
     5   6    -0.02   0.00   0.02     0.18   0.09   0.15     0.03  -0.10   0.20
     6   8    -0.04  -0.00  -0.00    -0.10   0.06  -0.07     0.18  -0.23  -0.19
     7   8    -0.05   0.08   0.05     0.03  -0.03  -0.09    -0.13  -0.14   0.08
     8   1    -0.01   0.04   0.00     0.02   0.18   0.28    -0.12   0.44   0.10
     9   1     0.15  -0.14  -0.13    -0.17   0.13   0.10     0.32  -0.07  -0.24
    10   1    -0.00  -0.19   0.12     0.08   0.21  -0.22    -0.10  -0.23   0.18
    11   1    -0.26   0.05   0.00    -0.02  -0.05  -0.19     0.03  -0.12   0.07
    12   1    -0.19   0.21   0.17    -0.40  -0.33   0.33    -0.05   0.13  -0.06
    13   1     0.68   0.06  -0.09     0.17   0.00  -0.16    -0.17   0.26  -0.09
    14   1    -0.30  -0.27   0.19    -0.12  -0.04  -0.11    -0.07  -0.06   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    569.0333               664.9503               761.5959
 Red. masses --      3.6221                 4.0267                 5.8503
 Frc consts  --      0.6910                 1.0490                 1.9993
 IR Inten    --      3.7325                 0.6373                 6.8993
 RamAct Fr= 1--      2.5983                15.4986                 5.5047
  Dep-P Fr= 1--      0.3648                 0.1745                 0.0572
  Dep-U Fr= 1--      0.5346                 0.2972                 0.1082
 Alpha2 Fr= 1--      0.0217                 0.2250                 0.1069
 Beta2  Fr= 1--      0.2315                 0.7677                 0.0993
 AlphaG Fr= 1--      0.0177                -0.1683                 0.0216
 Gamma2 Fr= 1--      0.4588                 1.3113                 0.5234
 Delta2 Fr= 1--     -0.2655                 0.1955                 0.2799
 Raman1 Fr= 1--      10.393                 61.994                 22.019
 ROA1   Fr= 1--      35.552                132.138                 59.200
 CID1   Fr= 1--       3.421                  2.131                  2.689
 Raman2 Fr= 1--       2.778                  9.212                  1.191
 ROA2   Fr= 1--      13.136                 29.906                 10.321
 CID2   Fr= 1--       4.728                  3.246                  8.663
 Raman3 Fr= 1--       5.557                 18.425                  2.383
 ROA3   Fr= 1--      35.552                132.138                 59.200
 CID3   Fr= 1--       6.398                  7.172                 24.843
 RC180  Fr= 1--       0.069                 -0.406                 -0.784
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.07  -0.16     0.09   0.09   0.35    -0.17  -0.04   0.10
     2  16    -0.01  -0.01   0.01    -0.09  -0.04  -0.15    -0.00   0.01  -0.01
     3   6     0.16  -0.06  -0.11     0.09   0.02   0.02    -0.03  -0.02  -0.06
     4   7    -0.08   0.05   0.03     0.02   0.02  -0.01    -0.02   0.14  -0.04
     5   6    -0.00  -0.11  -0.01    -0.09  -0.05  -0.13     0.35  -0.16   0.11
     6   8    -0.08  -0.10   0.10     0.02  -0.01   0.06    -0.18  -0.18   0.09
     7   8    -0.10   0.13   0.08     0.03   0.03   0.03     0.10   0.16  -0.20
     8   1     0.20  -0.11  -0.11     0.49  -0.04  -0.15    -0.21   0.21  -0.03
     9   1     0.12   0.16  -0.01     0.21  -0.11   0.03    -0.14  -0.10   0.01
    10   1     0.32   0.21  -0.28     0.10  -0.07   0.56    -0.09  -0.07   0.23
    11   1    -0.29   0.13   0.23    -0.06   0.02   0.00    -0.23   0.17   0.26
    12   1    -0.13  -0.06   0.08    -0.02  -0.09   0.04     0.10   0.26  -0.16
    13   1    -0.40  -0.11   0.21    -0.11   0.01  -0.01    -0.04   0.08   0.06
    14   1    -0.12  -0.00  -0.20     0.24   0.05   0.22     0.24   0.04   0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    785.0366               836.5683               854.0571
 Red. masses --      1.4107                 2.6045                 1.3488
 Frc consts  --      0.5122                 1.0739                 0.5797
 IR Inten    --      0.6145                35.0444               107.8109
 RamAct Fr= 1--      6.6371                 3.4724                 0.9060
  Dep-P Fr= 1--      0.1111                 0.3219                 0.3834
  Dep-U Fr= 1--      0.1999                 0.4871                 0.5543
 Alpha2 Fr= 1--      0.1131                 0.0333                 0.0071
 Beta2  Fr= 1--      0.2212                 0.2819                 0.0837
 AlphaG Fr= 1--      0.1240                -0.0717                 0.0475
 Gamma2 Fr= 1--     -0.3953                -1.7982                -0.5961
 Delta2 Fr= 1--     -0.0646                -0.5097                -0.3358
 Raman1 Fr= 1--      26.548                 13.890                  3.624
 ROA1   Fr= 1--     -40.014               -188.938                -67.974
 CID1   Fr= 1--      -1.507                -13.603                -18.757
 Raman2 Fr= 1--       2.654                  3.382                  1.004
 ROA2   Fr= 1--      -8.969                -39.080                -11.620
 CID2   Fr= 1--      -3.379                -11.554                -11.569
 Raman3 Fr= 1--       5.308                  6.765                  2.009
 ROA3   Fr= 1--     -40.014               -188.938                -67.974
 CID3   Fr= 1--      -7.538                -27.929                -33.838
 RC180  Fr= 1--      -0.600                 -0.026                  0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.12   0.12     0.06  -0.01   0.08     0.04   0.03  -0.01
     2  16     0.00   0.00  -0.02    -0.02   0.01  -0.03    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.01    -0.03  -0.12  -0.18    -0.03   0.06   0.02
     4   7     0.01   0.07  -0.04    -0.01  -0.03  -0.01    -0.08  -0.06   0.05
     5   6    -0.00   0.00   0.01     0.08   0.11   0.18    -0.02  -0.03  -0.05
     6   8     0.00  -0.00  -0.00     0.00   0.07  -0.07     0.01  -0.02   0.03
     7   8    -0.01  -0.00   0.01    -0.11  -0.06   0.02     0.00   0.01  -0.05
     8   1     0.07   0.08  -0.06    -0.13   0.03  -0.15    -0.02   0.07   0.01
     9   1    -0.19   0.14   0.53     0.03   0.01   0.11     0.09   0.03  -0.02
    10   1    -0.05   0.19  -0.36     0.34   0.17   0.12    -0.00  -0.00  -0.01
    11   1     0.05   0.01   0.05     0.39   0.05   0.30     0.48   0.17   0.64
    12   1     0.06   0.13  -0.08     0.00   0.28  -0.03     0.19   0.04  -0.20
    13   1     0.05   0.06  -0.01     0.05  -0.24   0.32     0.39   0.14  -0.19
    14   1    -0.38  -0.08  -0.51     0.24   0.05   0.33    -0.06  -0.01  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.3840               971.3966              1049.6172
 Red. masses --      1.4575                 1.5020                 1.8482
 Frc consts  --      0.6931                 0.8350                 1.1997
 IR Inten    --     78.0786                33.5542                30.8994
 RamAct Fr= 1--      2.3153                 2.6230                 0.9545
  Dep-P Fr= 1--      0.7185                 0.7500                 0.4075
  Dep-U Fr= 1--      0.8362                 0.8571                 0.5790
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0069
 Beta2  Fr= 1--      0.3227                 0.3747                 0.0921
 AlphaG Fr= 1--     -0.0032                 0.0000                -0.0200
 Gamma2 Fr= 1--     -1.5104                 2.2509                -0.7862
 Delta2 Fr= 1--     -0.4142                 0.8132                 0.0959
 Raman1 Fr= 1--       9.261                 10.492                  3.818
 ROA1   Fr= 1--    -158.252                242.112                -72.405
 CID1   Fr= 1--     -17.087                 23.076                -18.965
 Raman2 Fr= 1--       3.872                  4.497                  1.105
 ROA2   Fr= 1--     -32.935                 47.517                -19.635
 CID2   Fr= 1--      -8.506                 10.568                -17.764
 Raman3 Fr= 1--       7.744                  8.993                  2.211
 ROA3   Fr= 1--    -158.252                242.112                -72.405
 CID3   Fr= 1--     -20.435                 26.922                -32.753
 RC180  Fr= 1--       0.672                  0.714                  0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.03    -0.02  -0.12  -0.04    -0.14   0.06   0.01
     2  16     0.00   0.00   0.01    -0.02   0.01   0.00     0.02  -0.01   0.02
     3   6     0.08  -0.02   0.06     0.10  -0.02   0.04     0.16   0.01  -0.09
     4   7     0.06   0.06  -0.10    -0.05   0.07   0.00    -0.05  -0.03   0.04
     5   6    -0.03  -0.00  -0.03    -0.02   0.00  -0.04     0.05   0.02   0.03
     6   8     0.01   0.01   0.02     0.01   0.01   0.00    -0.00   0.03  -0.02
     7   8    -0.02   0.00  -0.01    -0.03  -0.02   0.04    -0.05  -0.02   0.04
     8   1     0.10  -0.06   0.05     0.15  -0.06   0.02     0.55   0.04  -0.28
     9   1    -0.16  -0.06  -0.07    -0.37  -0.07   0.07    -0.21  -0.17  -0.33
    10   1    -0.10  -0.06  -0.00     0.20   0.13  -0.16    -0.29  -0.17   0.16
    11   1     0.46   0.14   0.47    -0.06  -0.02  -0.00    -0.03  -0.01   0.01
    12   1    -0.46  -0.08   0.39     0.21  -0.01  -0.23     0.16   0.05  -0.16
    13   1    -0.20  -0.11   0.14     0.21   0.28  -0.29     0.12  -0.02   0.04
    14   1     0.03  -0.00   0.08     0.37   0.09   0.50    -0.20  -0.04  -0.32
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1107.3356              1164.9029              1216.3142
 Red. masses --      1.8300                 1.4600                 2.4714
 Frc consts  --      1.3221                 1.1673                 2.1542
 IR Inten    --     13.5247                 7.8250                15.5110
 RamAct Fr= 1--      1.7226                 1.7453                 5.4359
  Dep-P Fr= 1--      0.3864                 0.6672                 0.4225
  Dep-U Fr= 1--      0.5574                 0.8004                 0.5941
 Alpha2 Fr= 1--      0.0134                 0.0026                 0.0371
 Beta2  Fr= 1--      0.1600                 0.2328                 0.5382
 AlphaG Fr= 1--      0.0149                -0.0153                 0.0370
 Gamma2 Fr= 1--      0.5839                 0.9793                -2.6558
 Delta2 Fr= 1--     -0.2525                 0.5538                -0.9431
 Raman1 Fr= 1--       6.890                  6.981                 21.744
 ROA1   Fr= 1--      47.976                111.733               -285.132
 CID1   Fr= 1--       6.963                 16.004                -13.113
 Raman2 Fr= 1--       1.920                  2.794                  6.458
 ROA2   Fr= 1--      16.033                 19.072                -56.194
 CID2   Fr= 1--       8.349                  6.827                 -8.701
 Raman3 Fr= 1--       3.841                  5.588                 12.917
 ROA3   Fr= 1--      47.976                111.733               -285.132
 CID3   Fr= 1--      12.492                 19.997                -22.074
 RC180  Fr= 1--       0.115                  0.601                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.09  -0.02     0.05   0.03  -0.01    -0.02  -0.02  -0.00
     2  16    -0.01   0.02  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
     3   6     0.04   0.18  -0.06    -0.01  -0.07   0.11     0.02   0.02  -0.08
     4   7     0.02  -0.11   0.05    -0.02   0.00  -0.06     0.01   0.01   0.02
     5   6    -0.05  -0.02   0.00    -0.09   0.00   0.02    -0.18   0.03   0.22
     6   8     0.01  -0.04   0.01     0.01  -0.02   0.01     0.00  -0.10   0.01
     7   8     0.02   0.03  -0.01     0.04   0.03  -0.03     0.06   0.10  -0.09
     8   1     0.15   0.52  -0.19     0.04   0.42  -0.03     0.20  -0.42  -0.05
     9   1     0.05   0.08   0.24    -0.40  -0.16  -0.27    -0.04  -0.03  -0.02
    10   1    -0.23  -0.05  -0.30     0.16   0.05   0.08     0.19   0.08   0.08
    11   1     0.02   0.01  -0.07     0.09   0.01  -0.15     0.49   0.08  -0.44
    12   1    -0.03   0.08   0.09     0.17   0.45  -0.25    -0.05  -0.26   0.09
    13   1    -0.08  -0.31   0.33    -0.00  -0.23   0.31     0.11   0.18  -0.23
    14   1     0.20   0.04   0.33    -0.03   0.00  -0.09    -0.03  -0.01  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1239.5727              1281.8524              1327.7968
 Red. masses --      1.3059                 1.5389                 1.2748
 Frc consts  --      1.1822                 1.4898                 1.3242
 IR Inten    --      2.1128                 5.0482                28.5637
 RamAct Fr= 1--      4.9076                 3.2271                 5.2131
  Dep-P Fr= 1--      0.7483                 0.7487                 0.2853
  Dep-U Fr= 1--      0.8561                 0.8563                 0.4439
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0559
 Beta2  Fr= 1--      0.7002                 0.4606                 0.3857
 AlphaG Fr= 1--      0.0004                -0.0018                 0.0077
 Gamma2 Fr= 1--     -1.5145                 2.6571                -1.0846
 Delta2 Fr= 1--      1.1359                -0.2316                -0.3313
 Raman1 Fr= 1--      19.630                 12.909                 20.852
 ROA1   Fr= 1--    -109.039                247.672               -114.727
 CID1   Fr= 1--      -5.555                 19.187                 -5.502
 Raman2 Fr= 1--       8.402                  5.527                  4.628
 ROA2   Fr= 1--     -45.435                 65.623                -23.381
 CID2   Fr= 1--      -5.407                 11.874                 -5.052
 Raman3 Fr= 1--      16.805                 11.053                  9.256
 ROA3   Fr= 1--    -109.039                247.672               -114.727
 CID3   Fr= 1--      -6.489                 22.407                -12.395
 RC180  Fr= 1--       0.712                  0.713                 -0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.02   0.02    -0.11   0.00  -0.03    -0.07  -0.04  -0.08
     2  16     0.01  -0.01   0.00     0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   6     0.07   0.07  -0.07     0.14  -0.08   0.04    -0.08   0.02   0.07
     4   7     0.01  -0.02   0.03    -0.05   0.01  -0.03     0.01  -0.00  -0.00
     5   6    -0.01  -0.01  -0.05    -0.05   0.00  -0.00     0.02   0.00   0.01
     6   8     0.01  -0.01   0.01     0.00  -0.00   0.01     0.00   0.01  -0.01
     7   8    -0.01   0.00   0.02     0.01   0.01   0.00     0.01  -0.02  -0.01
     8   1    -0.52   0.28   0.16    -0.27   0.01   0.22     0.56   0.07  -0.25
     9   1    -0.22  -0.10  -0.08     0.69   0.26   0.30     0.25   0.15   0.18
    10   1     0.54   0.24   0.33    -0.03  -0.06   0.14     0.55   0.19   0.28
    11   1    -0.02  -0.00   0.00     0.09   0.01  -0.12    -0.17  -0.02   0.17
    12   1    -0.06  -0.14   0.10     0.15   0.21  -0.22    -0.03   0.04   0.04
    13   1    -0.01   0.01  -0.02     0.07  -0.10   0.14    -0.06  -0.01   0.00
    14   1    -0.11  -0.02  -0.19     0.00   0.00   0.00    -0.05  -0.01  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1395.6630              1415.3336              1456.0159
 Red. masses --      1.3078                 1.6732                 1.0892
 Frc consts  --      1.5009                 1.9748                 1.3605
 IR Inten    --      9.7749               393.7293                18.6735
 RamAct Fr= 1--      5.3720                 3.2117                 5.4563
  Dep-P Fr= 1--      0.7332                 0.1513                 0.6650
  Dep-U Fr= 1--      0.8460                 0.2628                 0.7988
 Alpha2 Fr= 1--      0.0015                 0.0495                 0.0082
 Beta2  Fr= 1--      0.7575                 0.1407                 0.7265
 AlphaG Fr= 1--     -0.0055                -0.0017                -0.0004
 Gamma2 Fr= 1--      2.6228                 0.4818                -0.2979
 Delta2 Fr= 1--     -0.7620                 0.4484                -0.2781
 Raman1 Fr= 1--      21.488                 12.847                 21.825
 ROA1   Fr= 1--     227.406                 60.599                -37.500
 CID1   Fr= 1--      10.583                  4.717                 -1.718
 Raman2 Fr= 1--       9.090                  1.688                  8.717
 ROA2   Fr= 1--      69.044                  7.975                 -4.926
 CID2   Fr= 1--       7.596                  4.725                 -0.565
 Raman3 Fr= 1--      18.180                  3.376                 17.435
 ROA3   Fr= 1--     227.406                 60.599                -37.500
 CID3   Fr= 1--      12.509                 17.950                 -2.151
 RC180  Fr= 1--       0.692                 -0.474                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.02     0.05   0.02  -0.06
     2  16    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.02  -0.14  -0.01    -0.05   0.04   0.04     0.00  -0.01  -0.02
     4   7     0.03   0.04   0.05     0.00  -0.02  -0.01     0.00   0.00   0.01
     5   6    -0.01   0.00  -0.01     0.13  -0.00  -0.10    -0.01  -0.01   0.01
     6   8    -0.00  -0.00   0.01    -0.02  -0.04   0.03     0.00   0.01  -0.00
     7   8    -0.01   0.01   0.01    -0.09   0.04   0.07     0.00  -0.00  -0.00
     8   1     0.02   0.75  -0.25     0.11  -0.12   0.01    -0.04   0.05  -0.02
     9   1     0.18   0.02  -0.02    -0.04   0.04   0.06    -0.41   0.32   0.47
    10   1    -0.09  -0.02  -0.07     0.11   0.00   0.09    -0.11  -0.49   0.49
    11   1     0.18   0.02  -0.14     0.69   0.07  -0.63    -0.02  -0.00   0.02
    12   1    -0.09  -0.26   0.18     0.02   0.13  -0.03    -0.01  -0.03   0.02
    13   1     0.03   0.25  -0.28    -0.01  -0.04   0.01     0.01   0.03  -0.03
    14   1     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.00   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1651.5691              1833.7569              2672.3617
 Red. masses --      1.0930                 9.6526                 1.0383
 Frc consts  --      1.7566                19.1239                 4.3687
 IR Inten    --     34.5368               275.0958                 0.4201
 RamAct Fr= 1--      5.2525                11.0646                92.2150
  Dep-P Fr= 1--      0.7329                 0.2745                 0.1639
  Dep-U Fr= 1--      0.8459                 0.4308                 0.2817
 Alpha2 Fr= 1--      0.0015                 0.1223                 1.3758
 Beta2  Fr= 1--      0.7405                 0.7944                 4.3289
 AlphaG Fr= 1--      0.0089                 0.1698                 0.2939
 Gamma2 Fr= 1--      1.0938                 1.6846                 3.9339
 Delta2 Fr= 1--      0.0441                 0.3583                 2.2884
 Raman1 Fr= 1--      21.010                 44.258                368.860
 ROA1   Fr= 1--     106.418                173.191                450.887
 CID1   Fr= 1--       5.065                  3.913                  1.222
 Raman2 Fr= 1--       8.886                  9.533                 51.947
 ROA2   Fr= 1--      25.898                 37.565                 76.107
 CID2   Fr= 1--       2.915                  3.941                  1.465
 Raman3 Fr= 1--      17.772                 19.066                103.895
 ROA3   Fr= 1--     106.418                173.191                450.887
 CID3   Fr= 1--       5.988                  9.084                  4.340
 RC180  Fr= 1--       0.692                 -0.138                 -0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     2  16     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.03  -0.01
     3   6     0.03  -0.00  -0.01     0.01  -0.04  -0.00     0.00   0.00   0.00
     4   7     0.02  -0.07   0.03     0.00  -0.01   0.00    -0.00   0.00  -0.00
     5   6    -0.01  -0.00   0.01     0.03   0.70  -0.17     0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.02  -0.43   0.10     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.02  -0.07   0.00    -0.00  -0.00   0.00
     8   1    -0.03  -0.03   0.02    -0.01   0.02  -0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.05   0.04   0.02    -0.00  -0.00   0.00
    10   1    -0.02  -0.01  -0.01    -0.07  -0.07   0.03     0.01  -0.01  -0.01
    11   1    -0.01  -0.00   0.03    -0.39   0.02   0.34    -0.00  -0.00   0.00
    12   1    -0.13   0.70   0.13     0.00   0.03  -0.01     0.00  -0.00   0.00
    13   1    -0.41   0.24  -0.49    -0.03  -0.02   0.01     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.03    -0.53   0.80   0.28
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3029.0107              3076.3473              3138.2037
 Red. masses --      1.0823                 1.0626                 1.1031
 Frc consts  --      5.8507                 5.9248                 6.4009
 IR Inten    --     10.0562                13.7054                 1.1267
 RamAct Fr= 1--    111.6556               127.0803                56.1868
  Dep-P Fr= 1--      0.2682                 0.0728                 0.5720
  Dep-U Fr= 1--      0.4230                 0.1358                 0.7278
 Alpha2 Fr= 1--      1.2569                 2.3767                 0.1885
 Beta2  Fr= 1--      7.8709                 2.8755                 6.8151
 AlphaG Fr= 1--      0.2406                -0.3952                -0.4115
 Gamma2 Fr= 1--     -0.1319                 4.3359                -8.0602
 Delta2 Fr= 1--      0.5709                 0.0588                -1.3243
 Raman1 Fr= 1--     446.622                508.321                224.747
 ROA1   Fr= 1--       5.606                418.132               -816.160
 CID1   Fr= 1--       0.013                  0.823                 -3.631
 Raman2 Fr= 1--      94.451                 34.506                 81.782
 ROA2   Fr= 1--      -7.734                103.592               -182.851
 CID2   Fr= 1--      -0.082                  3.002                 -2.236
 Raman3 Fr= 1--     188.901                 69.013                163.563
 ROA3   Fr= 1--       5.606                418.132               -816.160
 CID3   Fr= 1--       0.030                  6.059                 -4.990
 RC180  Fr= 1--      -0.154                 -0.728                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.04  -0.02  -0.06     0.02  -0.09   0.02
     2  16     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.03  -0.02  -0.07    -0.00  -0.00  -0.01     0.00  -0.00   0.00
     4   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1     0.41   0.22   0.87     0.05   0.03   0.10    -0.00  -0.00  -0.01
     9   1    -0.01   0.05  -0.03     0.03  -0.40   0.24    -0.04   0.74  -0.48
    10   1     0.05  -0.07  -0.05    -0.47   0.60   0.43    -0.25   0.31   0.23
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    13   1     0.00  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3440.0024              3467.0433              3575.8782
 Red. masses --      1.0631                 1.0553                 1.0886
 Frc consts  --      7.4122                 7.4739                 8.2015
 IR Inten    --    223.0207                29.2497                15.1602
 RamAct Fr= 1--     89.8313                62.2282                68.7840
  Dep-P Fr= 1--      0.0498                 0.0868                 0.4111
  Dep-U Fr= 1--      0.0948                 0.1597                 0.5827
 Alpha2 Fr= 1--      1.7754                 1.1252                 0.4894
 Beta2  Fr= 1--      1.4197                 1.6566                 6.6802
 AlphaG Fr= 1--      0.1544                -0.5556                 0.4227
 Gamma2 Fr= 1--     -2.5254                12.5581                -4.3583
 Delta2 Fr= 1--     -0.6260                 4.2003                -5.1943
 Raman1 Fr= 1--     359.325                248.913                275.136
 ROA1   Fr= 1--    -262.470               1339.989               -584.612
 CID1   Fr= 1--      -0.730                  5.383                 -2.125
 Raman2 Fr= 1--      17.037                 19.879                 80.162
 ROA2   Fr= 1--     -55.601                267.793                -63.045
 CID2   Fr= 1--      -3.264                 13.471                 -0.786
 Raman3 Fr= 1--      34.073                 39.758                160.325
 ROA3   Fr= 1--    -262.470               1339.989               -584.612
 CID3   Fr= 1--      -7.703                 33.703                 -3.646
 RC180  Fr= 1--      -0.810                 -0.681                  0.165
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2  16     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   7     0.01  -0.01   0.01    -0.04   0.02  -0.03    -0.01  -0.06  -0.05
     5   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.01  -0.06   0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
     9   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   1    -0.13   0.93  -0.13    -0.04   0.30  -0.04     0.00  -0.02   0.00
    12   1    -0.19  -0.01  -0.20     0.60   0.03   0.63     0.28  -0.00   0.26
    13   1    -0.01   0.11   0.08     0.02  -0.31  -0.20    -0.10   0.77   0.50
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   584.363651138.252301369.74446
           X            0.99958   0.02619  -0.01219
           Y           -0.02594   0.99946   0.02040
           Z            0.01272  -0.02008   0.99972
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14822     0.07609     0.06323
 Rotational constants (GHZ):           3.08839     1.58554     1.31758
 Zero-point vibrational energy     284670.1 (Joules/Mol)
                                   68.03778 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.39   134.03   292.84   396.49   443.87
          (Kelvin)            511.21   536.86   716.35   771.11   818.71
                              956.72  1095.77  1129.49  1203.64  1228.80
                             1292.57  1397.62  1510.17  1593.21  1676.04
                             1750.00  1783.47  1844.30  1910.40  2008.05
                             2036.35  2094.88  2376.24  2638.37  3844.93
                             4358.07  4426.18  4515.18  4949.40  4988.30
                             5144.89
 
 Zero-point correction=                           0.108425 (Hartree/Particle)
 Thermal correction to Energy=                    0.116188
 Thermal correction to Enthalpy=                  0.117132
 Thermal correction to Gibbs Free Energy=         0.075757
 Sum of electronic and zero-point Energies=           -722.021435
 Sum of electronic and thermal Energies=              -722.013672
 Sum of electronic and thermal Enthalpies=            -722.012728
 Sum of electronic and thermal Free Energies=         -722.054102
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.909             27.928             87.080
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.301
 Vibrational             71.131             21.966             18.493
 Vibration     1          0.598              1.968              4.140
 Vibration     2          0.602              1.954              3.593
 Vibration     3          0.639              1.835              2.101
 Vibration     4          0.677              1.719              1.561
 Vibration     5          0.698              1.658              1.370
 Vibration     6          0.731              1.564              1.143
 Vibration     7          0.745              1.527              1.067
 Vibration     8          0.853              1.255              0.663
 Vibration     9          0.891              1.171              0.574
 Vibration    10          0.925              1.098              0.506
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.142598D-34        -34.845886        -80.235618
 Total V=0       0.106208D+16         15.026156         34.599003
 Vib (Bot)       0.797534D-48        -48.098251       -110.750315
 Vib (Bot)    1  0.292664D+01          0.466369          1.073855
 Vib (Bot)    2  0.220589D+01          0.343583          0.791129
 Vib (Bot)    3  0.978319D+00         -0.009520         -0.021920
 Vib (Bot)    4  0.699292D+00         -0.155342         -0.357687
 Vib (Bot)    5  0.613462D+00         -0.212212         -0.488637
 Vib (Bot)    6  0.517473D+00         -0.286112         -0.658798
 Vib (Bot)    7  0.486864D+00         -0.312592         -0.719770
 Vib (Bot)    8  0.330716D+00         -0.480545         -1.106496
 Vib (Bot)    9  0.296748D+00         -0.527612         -1.214872
 Vib (Bot)   10  0.270726D+00         -0.567470         -1.306648
 Vib (V=0)       0.594007D+02          1.773791          4.084306
 Vib (V=0)    1  0.346904D+01          0.540210          1.243879
 Vib (V=0)    2  0.276184D+01          0.441199          1.015898
 Vib (V=0)    3  0.159868D+01          0.203763          0.469181
 Vib (V=0)    4  0.135966D+01          0.133429          0.307232
 Vib (V=0)    5  0.129141D+01          0.111065          0.255738
 Vib (V=0)    6  0.121957D+01          0.086206          0.198497
 Vib (V=0)    7  0.119788D+01          0.078413          0.180553
 Vib (V=0)    8  0.109948D+01          0.041186          0.094835
 Vib (V=0)    9  0.108143D+01          0.033998          0.078283
 Vib (V=0)   10  0.106859D+01          0.028810          0.066338
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.341685D+06          5.533626         12.741645
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   33          3 3 3            2                            1      1      111 1 111 1 1 1                                     
     5   44          1 0 0            6                            8      6      443 3 222 1 1 0  9  88877   6  55 4   33 32 2       
     7   64          3 7 2            7                            3      5      519 2 841 6 0 5  7  95386   6  63 9   75 07 0   97  
     6   70          8 6 9            2                            4      2      656 8 206 5 7 0  1  84752   5  96 8   35 96 4   30  
 
     X   XX          X X X            X                            X      X      XXX X XXX X X X  X  XXXXX   X  XX X   XX XX X   XX  
          X                                                        X      X       X            X  X  XXX                             
          X                                                        X              X                  XX                              
          X                                                        X              X                  XX                              
          X                                                        X              X                   X                              
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009784   -0.000012703    0.000024141
      2       16          -0.000010683   -0.000002410   -0.000007852
      3        6          -0.000005456    0.000026473   -0.000032166
      4        7           0.000020671   -0.000029716    0.000024212
      5        6           0.000059206    0.000058794   -0.000084195
      6        8          -0.000006378   -0.000036015    0.000030193
      7        8          -0.000061307   -0.000029170    0.000042898
      8        1          -0.000006865   -0.000003132    0.000005992
      9        1           0.000008251    0.000006710   -0.000006944
     10        1          -0.000004315    0.000003253   -0.000003995
     11        1           0.000014168    0.000002391    0.000005921
     12        1          -0.000015161    0.000009488    0.000002767
     13        1          -0.000004213    0.000012087    0.000001160
     14        1           0.000002297   -0.000006051   -0.000002131
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084195 RMS     0.000026055
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.795301D+02  0.309724D+01 -0.302456D+00
      2   0.309724D+01  0.769448D+02 -0.398632D+00
      3  -0.302456D+00 -0.398632D+00  0.692082D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.542237D+00 -0.160844D+01 -0.418792D+01
      2  -0.178703D+02 -0.767326D+01 -0.292826D+02
      3   0.143486D+02  0.848750D+01  0.708614D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.626628D+02 -0.215238D+02 -0.370688D+02
      2   0.318573D+02  0.170536D+02  0.120215D+02
      3   0.308055D+02  0.447027D+01  0.250473D+02
      4  -0.870779D+00 -0.122924D+02 -0.127617D+02
      5  -0.237702D+02 -0.145501D+02 -0.421171D+02
      6  -0.267860D+01  0.940860D+01  0.136795D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.423832D+00 -0.119553D+01  0.247347D+01 -0.114388D+01  0.122415D+01
      2  -0.119553D+01  0.114704D+01  0.250971D+01  0.122415D+01  0.184197D+00
      3   0.247347D+01  0.250971D+01  0.456232D+01  0.268477D+01 -0.343776D+01
                 6             7             8             9            10 
      1   0.268477D+01  0.508089D+01  0.341595D+01  0.448410D+01 -0.905494D+01
      2  -0.343776D+01  0.341595D+01 -0.950767D+00  0.160520D+01  0.634944D+00
      3   0.289233D+01  0.448410D+01  0.160520D+01  0.299924D+01 -0.307549D+01
                11            12            13            14            15 
      1   0.634944D+00 -0.307549D+01  0.269154D+01 -0.406680D+01 -0.890972D+00
      2  -0.393352D+01 -0.709381D+00 -0.406680D+01  0.254134D+01  0.237521D+00
      3  -0.709381D+00 -0.469338D+01 -0.890972D+00  0.237521D+00  0.649088D-01
                16            17            18            19            20 
      1  -0.452670D+01 -0.191002D+01 -0.588658D+01  0.470335D+00  0.249514D+01
      2  -0.191002D+01  0.335897D+00 -0.943249D+00  0.249514D+01 -0.103950D+01
      3  -0.588658D+01 -0.943249D+00 -0.737895D+01 -0.191731D+01 -0.202071D+01
                21            22            23            24            25 
      1  -0.191731D+01  0.172811D+01 -0.167199D+01 -0.117678D+01 -0.289025D+01
      2  -0.202071D+01 -0.167199D+01 -0.740391D+00  0.157217D+01 -0.204028D+01
      3  -0.204534D+01 -0.117678D+01  0.157217D+01 -0.768974D+00 -0.349720D+01
                26            27            28            29            30 
      1  -0.204028D+01 -0.349720D+01  0.199363D+01  0.118153D+01  0.129566D+01
      2   0.634640D+00 -0.181368D+01  0.118153D+01  0.336375D+01  0.114972D+00
      3  -0.181368D+01 -0.428864D+01  0.129566D+01  0.114972D+00  0.147010D+01
                31            32            33            34            35 
      1   0.896260D+00  0.281085D+01 -0.126636D+00  0.203635D+01  0.704363D+00
      2   0.281085D+01 -0.526924D-01 -0.312090D+01  0.704363D+00 -0.304225D+01
      3  -0.126636D+00 -0.312090D+01  0.116744D+00  0.196087D+01  0.775282D-01
                36            37            38            39            40 
      1   0.196087D+01  0.867724D+00 -0.146496D+01  0.738763D+00 -0.718739D+00
      2   0.775282D-01 -0.146496D+01  0.183825D+01  0.861376D+00  0.576602D+00
      3  -0.210854D-01  0.738763D+00  0.861376D+00  0.652663D+00  0.933108D+00
                41            42            43            44            45 
      1   0.576602D+00  0.933108D+00 -0.753284D+00  0.146311D+01 -0.688891D-01
      2   0.498764D+01 -0.213350D+01  0.146311D+01 -0.289803D+01  0.258462D+00
      3  -0.213350D+01  0.105153D+00 -0.688891D-01  0.258462D+00 -0.123918D+00
                46            47            48            49            50 
      1  -0.701408D+00 -0.259544D+01  0.621800D+00 -0.347382D+01  0.962707D+00
      2  -0.259544D+01  0.250191D+00 -0.551090D+00  0.962707D+00 -0.124362D+02
      3   0.621800D+00 -0.551090D+00 -0.229346D+00 -0.107475D+00  0.238064D+01
                51            52            53            54            55 
      1  -0.107475D+00  0.131634D+01 -0.613229D+00  0.182688D+00  0.573033D+01
      2   0.238064D+01 -0.613229D+00  0.181864D+01 -0.287242D+01  0.333575D+00
      3  -0.249252D+01  0.182688D+00 -0.287242D+01  0.207358D+01 -0.240908D+01
                56            57            58            59            60 
      1   0.333575D+00 -0.240908D+01 -0.199000D+01  0.289346D+01  0.755799D+00
      2   0.861630D+00 -0.182399D+00  0.289346D+01 -0.357117D+01 -0.593543D+00
      3  -0.182399D+00  0.120683D+01  0.755799D+00 -0.593543D+00 -0.574195D+00
                61            62            63            64            65 
      1  -0.180581D+01 -0.287183D+00  0.229724D+01  0.221846D+01  0.275864D+00
      2  -0.287183D+00  0.583201D+00  0.251961D+00  0.275864D+00  0.875688D+00
      3   0.229724D+01  0.251961D+00 -0.318928D+01  0.236046D+01  0.931520D+00
                66            67            68            69            70 
      1   0.236046D+01  0.229401D+00  0.115181D+01  0.746789D+00  0.336612D+01
      2   0.931520D+00  0.115181D+01  0.154950D+01  0.129761D+01  0.102011D+01
      3   0.230809D+01  0.746789D+00  0.129761D+01  0.114456D+01  0.306094D+01
                71            72            73            74            75 
      1   0.102011D+01  0.306094D+01  0.569014D+00 -0.622224D+00  0.588620D+00
      2   0.168339D+01  0.190933D+01 -0.622224D+00 -0.377111D+00 -0.118504D+00
      3   0.190933D+01  0.741480D+01  0.588620D+00 -0.118504D+00 -0.272472D+00
                76            77            78            79            80 
      1  -0.180871D+01 -0.428871D+00 -0.646180D+00  0.482794D+00 -0.127369D+00
      2  -0.428871D+00 -0.351707D+01  0.274000D+01 -0.127369D+00  0.182022D+01
      3  -0.646180D+00  0.274000D+01 -0.443387D+01 -0.263794D+00 -0.219109D+01
                81            82            83            84            85 
      1  -0.263794D+00 -0.269236D+01  0.141735D+01  0.143330D+01  0.225720D+01
      2  -0.219109D+01  0.141735D+01 -0.147682D+01 -0.144173D+01 -0.145870D+01
      3   0.401776D+01  0.143330D+01 -0.144173D+01 -0.277687D+01 -0.127569D+01
                86            87            88            89            90 
      1  -0.145870D+01 -0.127569D+01  0.100406D+01 -0.979122D+00 -0.211003D+01
      2   0.312247D+01  0.260158D+01 -0.979122D+00  0.147948D+01  0.152987D+01
      3   0.260158D+01  0.258013D+01 -0.211003D+01  0.152987D+01  0.302890D+01
                91            92            93            94            95 
      1   0.876291D+00  0.148994D+01  0.117491D-01  0.359293D+01 -0.958474D+00
      2   0.148994D+01 -0.209793D+00 -0.371202D+00 -0.958474D+00  0.475479D+01
      3   0.117491D-01 -0.371202D+00  0.314336D+00 -0.136758D+01 -0.511011D+00
                96            97            98            99           100 
      1  -0.136758D+01 -0.474373D+00 -0.456172D+00  0.696258D+00 -0.295859D+01
      2  -0.511011D+00 -0.456172D+00 -0.759913D+00  0.643556D+00 -0.924424D+00
      3   0.146639D+01  0.696258D+00  0.643556D+00 -0.143651D+01 -0.175849D+01
               101           102           103           104           105 
      1  -0.924424D+00 -0.175849D+01 -0.989477D+00 -0.166004D+01  0.788277D-01
      2  -0.284346D+01  0.300554D+00 -0.166004D+01 -0.134484D+00 -0.629903D+00
      3   0.300554D+00 -0.147432D+01  0.788277D-01 -0.629903D+00  0.416580D+00
               106           107           108           109           110 
      1  -0.342460D+01 -0.524412D+00 -0.116755D+01  0.310668D+00  0.692798D+00
      2  -0.524412D+00 -0.221037D+01  0.988397D+00  0.692798D+00 -0.109015D+01
      3  -0.116755D+01  0.988397D+00 -0.288125D+01 -0.642152D-01 -0.786091D-01
               111           112           113           114           115 
      1  -0.642152D-01  0.148622D+01 -0.986412D+00 -0.248508D+00  0.648800D+00
      2  -0.786091D-01 -0.986412D+00  0.874093D+01  0.208098D+01 -0.696092D-01
      3   0.478164D-01 -0.248508D+00  0.208098D+01  0.159992D+01 -0.100146D+00
               116           117           118           119           120 
      1  -0.696092D-01 -0.100146D+00  0.194701D+01 -0.171856D+01 -0.299247D+00
      2   0.394912D+01  0.187381D+01 -0.171856D+01  0.263381D+01  0.755493D+00
      3   0.187381D+01  0.139777D+01 -0.299247D+00  0.755493D+00  0.929577D+00
               121           122           123           124           125 
      1  -0.275702D+01  0.161172D+01  0.640530D+00 -0.603363D-01  0.403857D+00
      2   0.161172D+01 -0.542883D+01 -0.248390D+01  0.403857D+00 -0.244325D+01
      3   0.640530D+00 -0.248390D+01 -0.211715D+01  0.412091D+00 -0.131769D+01
               126 
      1   0.412091D+00
      2  -0.131769D+01
      3  -0.161244D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.330724D+01  0.600345D+00  0.485990D+01 -0.205207D+01 -0.132863D+01
      2   0.566002D+01  0.182618D+01 -0.496523D+01  0.130064D+01  0.262664D+01
      3  -0.241432D+01  0.110776D+01  0.147323D+01  0.789203D+01  0.490523D+01
                 6             7             8             9            10 
      1  -0.968350D+01  0.400477D+01 -0.106072D+01  0.462040D+01 -0.372563D+01
      2  -0.824173D+01 -0.140405D+02 -0.517199D+01 -0.114246D+02  0.110409D+02
      3  -0.253455D+01  0.339540D+01 -0.493238D+00  0.214772D+01  0.449386D+01
                11            12            13            14            15 
      1   0.837062D+00 -0.347137D+01 -0.207534D+01 -0.675617D+01 -0.116871D+02
      2   0.640449D+01  0.220329D+02  0.693264D+01 -0.676597D+00  0.436986D+00
      3  -0.176561D+02 -0.241472D+01  0.334338D+00  0.101864D+02  0.301783D+01
                16            17            18            19            20 
      1   0.172136D+00  0.558238D+01 -0.943894D+00  0.450256D+01 -0.144259D+00
      2   0.178139D+01 -0.366983D+00  0.110978D+02 -0.620480D+01 -0.447545D+01
      3  -0.371638D+01  0.313137D+01  0.809501D+00 -0.791738D+00 -0.274582D+01
                21            22            23            24            25 
      1  -0.721779D+00 -0.369791D+00 -0.103732D+01  0.172224D+01  0.655920D+00
      2   0.139262D+01 -0.647166D+01  0.124794D+00 -0.128834D+01 -0.983208D+00
      3  -0.663282D+00  0.398051D+01  0.393900D+01  0.545923D+00  0.111993D+01
                26            27            28            29            30 
      1   0.679599D+01 -0.208759D+01 -0.585077D+01 -0.328493D+01 -0.414578D+01
      2  -0.170317D+01  0.935518D+00  0.325482D+01 -0.118289D+00  0.751531D+01
      3  -0.161181D+01 -0.791201D+00  0.580844D+01 -0.402650D+01  0.430653D+01
                31            32            33            34            35 
      1  -0.140773D+01  0.108832D+02 -0.333891D+01 -0.586702D+01  0.448691D+01
      2   0.197136D+01 -0.189443D+01  0.697449D+00  0.864200D+00  0.223835D+01
      3   0.446923D+01  0.367388D+01  0.214969D+01  0.505538D+01  0.609823D+01
                36            37            38            39            40 
      1   0.128815D+01 -0.114471D+01  0.342879D+01  0.931715D+00  0.357412D+01
      2  -0.994217D+00 -0.131197D+02  0.381056D+01 -0.362733D+00 -0.962574D+00
      3   0.373648D+01  0.725177D+01 -0.676297D+01 -0.102530D+01 -0.867185D+01
                41            42            43            44            45 
      1   0.161157D+01  0.563704D+01 -0.279808D+01  0.690987D+01 -0.240751D+01
      2   0.579634D+00  0.266229D+01 -0.128486D+02  0.361426D+01  0.941422D+01
      3  -0.101019D+02 -0.119085D+01  0.184701D+01 -0.225810D+01  0.248887D+00
                46            47            48            49            50 
      1   0.837491D+00 -0.283417D+00  0.331937D+00  0.849719D+00 -0.235545D+01
      2   0.311887D+01 -0.195969D+01  0.255693D+01  0.280514D+01  0.298489D+00
      3   0.421096D+01 -0.101369D+01  0.823998D+00  0.139308D+02  0.176802D+02
                51            52            53            54            55 
      1  -0.113020D+02  0.395366D+00  0.208495D+00  0.223853D+01  0.361879D+00
      2  -0.471298D+01 -0.745879D+00 -0.531008D+01  0.809394D+00  0.195211D+01
      3  -0.216667D+01 -0.122268D+01 -0.111984D+01  0.478787D+01 -0.977254D+00
                56            57            58            59            60 
      1  -0.413166D+01 -0.136149D+01 -0.409776D+01  0.774386D+01 -0.265346D+01
      2  -0.199063D+01  0.683803D+01 -0.959670D+00  0.803325D+00 -0.168146D+01
      3  -0.908584D+01  0.943498D+00 -0.642608D+01  0.153180D+02  0.187966D+01
                61            62            63            64            65 
      1   0.137350D+01  0.288973D+01  0.155031D+00 -0.912832D+00  0.135538D+01
      2   0.438819D+01 -0.133223D+01 -0.985983D+01 -0.153549D+01 -0.292562D+00
      3  -0.582588D+00  0.266776D+01 -0.125489D+01  0.128473D+01 -0.164087D+01
                66            67            68            69            70 
      1  -0.853237D+00  0.837481D+00  0.205672D+01 -0.637993D+00 -0.249525D+00
      2   0.303502D+00  0.416522D+00 -0.905595D+00  0.480704D+00 -0.466009D+01
      3   0.130930D+01  0.644515D+00 -0.108905D+01 -0.203472D+00  0.142352D+01
                71            72            73            74            75 
      1   0.239058D+01 -0.232094D+01 -0.784064D+00  0.565165D+00 -0.500857D+00
      2  -0.387722D+00  0.460664D+00 -0.326607D+01  0.675422D+00  0.512119D+00
      3  -0.842520D+00  0.861036D+00 -0.131285D+01 -0.830816D+00 -0.318385D+00
                76            77            78            79            80 
      1   0.297249D+00 -0.586178D+01  0.321591D+01 -0.436575D-01  0.515880D+01
      2   0.412225D+01 -0.263583D+01  0.579402D+01 -0.248830D+01  0.214374D+01
      3   0.197579D+01 -0.535563D+01  0.373304D+01 -0.714495D+00  0.198321D+01
                81            82            83            84            85 
      1  -0.329301D+01  0.178485D+01 -0.173824D+01 -0.918781D+00 -0.141326D+01
      2  -0.281310D+01  0.177961D+01 -0.539984D-01  0.304528D+01 -0.284579D+01
      3  -0.269275D+01  0.959805D+00 -0.334757D+01 -0.187760D+01  0.509077D+00
                86            87            88            89            90 
      1   0.386989D+01  0.127307D+01 -0.890154D+00  0.356319D+01  0.280827D+00
      2  -0.124484D+01 -0.181589D+01 -0.869423D+00 -0.616081D+00 -0.734518D+00
      3   0.394084D+01  0.307343D+01 -0.426487D+00  0.187816D+01  0.138108D+01
                91            92            93            94            95 
      1  -0.146209D+01  0.306230D+01 -0.926126D+00  0.400640D+01 -0.908708D+01
      2  -0.173330D+01  0.901560D+00  0.396836D-02  0.102604D+01 -0.346100D+01
      3  -0.103550D+01  0.336635D+01  0.977821D+00  0.786063D+01 -0.186485D+02
                96            97            98            99           100 
      1   0.107040D+00 -0.750912D+00  0.183507D+01  0.712997D+00  0.696395D+01
      2   0.330489D+01 -0.106057D+01  0.174587D+01 -0.789417D+00 -0.492802D+01
      3   0.115814D-01 -0.974052D-02  0.259249D+00 -0.363762D+00 -0.101942D+02
               101           102           103           104           105 
      1   0.246318D+01  0.541162D+01  0.206944D+01  0.211216D+01 -0.369761D+00
      2  -0.127396D+01 -0.266230D+01 -0.226540D+01 -0.263265D+01 -0.733028D+00
      3  -0.419734D+01 -0.466548D+01 -0.255527D+01 -0.338896D+01  0.267712D+00
               106           107           108           109           110 
      1   0.524767D+01  0.109595D+01  0.567532D+01  0.750825D+00  0.605926D+00
      2  -0.590266D+01 -0.150369D+01 -0.140755D+01  0.195792D+00  0.142184D+00
      3  -0.906857D+01 -0.107808D+01 -0.322972D+01 -0.184657D+00  0.119284D+01
               111           112           113           114           115 
      1   0.280482D+00  0.129185D+01 -0.662203D+01 -0.585483D+01  0.362948D+00
      2   0.268883D-01 -0.230452D+00  0.174062D+01  0.824381D+00 -0.701421D+00
      3  -0.407570D+00  0.598570D+01 -0.694423D+01 -0.241617D+01  0.236162D+01
               116           117           118           119           120 
      1  -0.437340D+01 -0.397460D+01  0.198577D+01 -0.333563D+01  0.108378D+01
      2   0.155423D+01  0.903049D+00  0.362934D+01 -0.379809D+01 -0.163563D+01
      3  -0.279455D+01 -0.166774D+01 -0.864676D+01  0.717083D+01  0.173826D+01
               121           122           123           124           125 
      1  -0.135442D+01  0.497334D+01 -0.102941D+01 -0.652536D-01  0.298686D+01
      2  -0.483903D+01  0.727744D+01  0.427271D+01 -0.249219D+01  0.354370D+01
      3   0.982969D+01 -0.125636D+02 -0.631230D+01  0.538077D+00 -0.581983D+01
               126 
      1  -0.144019D+00
      2   0.454773D+01
      3  -0.397251D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.581346D+01 -0.756064D+00 -0.655895D+01 -0.214253D+01  0.558118D+01
      2  -0.105644D+01 -0.475538D+01  0.612948D+01 -0.207273D+01  0.175483D+01
      3   0.686989D+01  0.551144D+01  0.429463D+00  0.421526D+01 -0.733600D+01
      4   0.319150D+01 -0.593730D+01 -0.588072D+01 -0.257700D+01  0.273796D+01
      5  -0.414600D+01 -0.862424D+01 -0.168216D+02 -0.125515D+02  0.117852D+02
      6  -0.303356D+01  0.419493D+01  0.396565D+01  0.584256D+01  0.144290D+01
                 6             7             8             9            10 
      1  -0.878258D+01 -0.230613D+02 -0.103598D+02 -0.955851D+01  0.590856D+02
      2   0.495362D+01  0.970781D+01  0.742991D+00  0.539593D+01 -0.317210D+02
      3   0.382896D+01  0.133535D+02  0.961684D+01  0.416258D+01 -0.273647D+02
      4   0.834040D+01 -0.140187D+02 -0.168979D+01  0.297473D+00  0.599527D+01
      5  -0.380994D+01 -0.163488D+02 -0.641926D+00 -0.885578D+01  0.157104D+02
      6  -0.116288D+02  0.298365D+01 -0.965978D+01  0.154019D+01 -0.131988D+01
                11            12            13            14            15 
      1  -0.367838D+01  0.811391D+01 -0.152286D+02  0.129676D+02  0.561383D+01
      2   0.775545D+01 -0.654400D+01  0.152059D+02  0.588612D+01 -0.616684D+01
      3  -0.407707D+01 -0.156991D+01  0.226769D-01 -0.188538D+02  0.553006D+00
      4   0.276272D+02  0.193837D+01  0.322069D+02  0.113261D+01  0.145962D+01
      5   0.417306D-01  0.342904D+02  0.142761D+01  0.231524D+01  0.347239D+01
      6   0.665663D+01  0.421330D+01  0.537199D+01 -0.908333D+01  0.113160D+02
                16            17            18            19            20 
      1   0.110213D+02  0.865558D+01  0.106011D+02 -0.154042D+01  0.620446D+01
      2  -0.110897D+02 -0.528353D+01 -0.252155D+02  0.949700D+01 -0.138887D+01
      3   0.683683D-01 -0.337204D+01  0.146144D+02 -0.795658D+01 -0.481559D+01
      4   0.677432D+01 -0.148947D+01  0.458730D+01  0.253596D+01  0.139778D+01
      5   0.393078D+02  0.733467D+01  0.283303D+02 -0.343770D+01 -0.122702D+01
      6   0.705917D+01  0.102141D+02 -0.367061D+00 -0.397484D+01 -0.553690D+01
                21            22            23            24            25 
      1   0.687138D+01 -0.113173D+00 -0.462904D+00 -0.103195D+00  0.123693D+02
      2   0.221125D+01  0.227904D+01 -0.331044D+01  0.304872D+01 -0.107096D+01
      3  -0.908263D+01 -0.216587D+01  0.377334D+01 -0.294552D+01 -0.112983D+02
      4  -0.367194D+01 -0.633866D+01 -0.727952D+01  0.201979D+01  0.476358D+01
      5  -0.642992D+01  0.280452D+01 -0.606151D+00 -0.738239D+01 -0.344222D+01
      6  -0.660266D+01 -0.184841D+01  0.191310D+01 -0.290872D+01 -0.552980D+01
                26            27            28            29            30 
      1   0.141104D+01  0.727633D+01  0.635540D+01 -0.109119D+02 -0.295068D+00
      2   0.108106D+02  0.601664D+01 -0.579327D-02  0.150166D+02  0.636768D+00
      3  -0.122216D+02 -0.132930D+02 -0.634961D+01 -0.410472D+01 -0.341700D+00
      4   0.170654D+01 -0.575728D+01  0.103599D+01  0.420307D+01  0.581163D+01
      5  -0.368491D+01 -0.963887D+01 -0.213906D+01  0.738056D+00  0.487572D+01
      6  -0.245795D+01 -0.892772D+01  0.521720D+01 -0.595973D+00  0.721098D+01
                31            32            33            34            35 
      1  -0.570979D+01  0.881351D+00  0.933109D+01 -0.301043D+01  0.101829D+02
      2   0.994495D+01 -0.166534D+01 -0.144050D+02  0.419283D+01 -0.195008D+02
      3  -0.423516D+01  0.783985D+00  0.507387D+01 -0.118240D+01  0.931791D+01
      4   0.912039D+01  0.108580D+02 -0.406298D+01  0.455999D+01 -0.474784D+01
      5  -0.729012D+00 -0.267233D+01  0.285008D+01  0.474345D+01  0.115677D+01
      6  -0.182334D+01 -0.180487D+02  0.487135D+01  0.567910D+01  0.743463D+00
                36            37            38            39            40 
      1   0.119414D+01 -0.587616D+01 -0.547918D+01  0.155325D+01 -0.267451D+01
      2  -0.337974D+01  0.762555D+00  0.253259D+01 -0.867410D+01  0.449953D+01
      3   0.218560D+01  0.511360D+01  0.294660D+01  0.712085D+01 -0.182502D+01
      4   0.630755D+01 -0.501219D+01  0.189434D+01  0.225739D+01 -0.990169D+01
      5  -0.450433D+01  0.799687D+01  0.253615D+01 -0.296960D+01  0.470870D+01
      6  -0.249886D+01  0.494945D+00 -0.492919D+00  0.404168D+00 -0.208458D+01
                41            42            43            44            45 
      1   0.171888D+02 -0.240326D+01  0.133724D+02  0.253452D+01 -0.445637D+00
      2  -0.283858D+02 -0.992069D+00 -0.107882D+02  0.238425D+01 -0.749740D+00
      3   0.111970D+02  0.339533D+01 -0.258422D+01 -0.491877D+01  0.119538D+01
      4   0.191403D+02 -0.509901D+01  0.871286D+01 -0.276118D+01  0.217505D+01
      5  -0.829450D+01  0.422325D+01 -0.695487D+00  0.183380D+01  0.930139D+01
      6   0.731148D+01 -0.984282D+01  0.298497D+01  0.608931D+00  0.259716D+01
                46            47            48            49            50 
      1   0.391329D+01 -0.693483D+01  0.106729D+01 -0.567514D+01 -0.295892D+02
      2   0.318687D+01  0.315771D+01  0.346955D+00 -0.463979D+00  0.534982D+02
      3  -0.710016D+01  0.377712D+01 -0.141425D+01  0.613911D+01 -0.239090D+02
      4  -0.837369D+01  0.138055D+02 -0.351609D+01  0.187333D+02 -0.355335D+02
      5   0.373149D+01 -0.358788D+01  0.550399D+01 -0.264932D+01  0.108420D+02
      6  -0.222886D+01  0.171512D+01 -0.179923D+01  0.325106D+01 -0.113143D+02
                51            52            53            54            55 
      1   0.669815D+01  0.730858D+00  0.327453D+01 -0.763007D+01  0.416297D+02
      2  -0.510959D+01  0.140255D+01 -0.442664D+01  0.455626D+01 -0.267707D+02
      3  -0.158856D+01 -0.213340D+01  0.115211D+01  0.307382D+01 -0.148590D+02
      4   0.656064D+01 -0.446380D+01  0.502851D+01 -0.890986D+01  0.295301D+01
      5  -0.958034D+01  0.485028D+01 -0.979331D+01  0.634309D+01 -0.161813D+02
      6   0.163243D+02 -0.298571D+01  0.152704D+02 -0.679910D+01  0.110524D+01
                56            57            58            59            60 
      1   0.276845D+01 -0.866220D+01 -0.675892D+01  0.838562D+01  0.244094D+01
      2  -0.144146D+00  0.106881D+02  0.600279D+01 -0.446638D+01 -0.207862D+01
      3  -0.262430D+01 -0.202587D+01  0.756132D+00 -0.391924D+01 -0.362324D+00
      4   0.926487D+01 -0.492965D+00  0.136629D+02 -0.100130D+02 -0.285571D+01
      5  -0.377030D+00  0.155302D+02  0.355095D+01 -0.359850D+01 -0.325529D+01
      6  -0.883195D+00  0.511422D+00 -0.252525D+01  0.322979D+01  0.639976D+01
                61            62            63            64            65 
      1  -0.114368D+02 -0.187269D+01  0.352538D+01  0.275676D+01 -0.138746D+01
      2   0.109383D+02  0.416332D+00 -0.142660D+02 -0.659590D+01  0.112053D+00
      3   0.498472D+00  0.145636D+01  0.107406D+02  0.383914D+01  0.127541D+01
      4  -0.364354D+01 -0.972469D+00  0.442124D+00  0.389299D+01  0.556955D+01
      5   0.162451D+02  0.140587D+01 -0.197949D+02  0.905839D+01  0.347906D+01
      6  -0.116006D+01  0.395011D+01  0.125910D+01  0.478423D+01  0.411408D+01
                66            67            68            69            70 
      1  -0.214915D+01 -0.109120D+01 -0.461529D+01 -0.343152D+01 -0.443100D+01
      2  -0.560477D+01  0.253420D+00  0.175760D+01  0.998165D+00 -0.414904D+01
      3   0.775392D+01  0.837777D+00  0.285769D+01  0.243336D+01  0.858004D+01
      4   0.407374D+01  0.486755D+01  0.338706D+01  0.320772D+01  0.265514D+01
      5   0.120290D+02  0.233546D+01  0.313910D+01  0.313760D+01  0.102324D+02
      6   0.530168D+01  0.407587D+01  0.516826D+01  0.878850D+01  0.561653D+01
                71            72            73            74            75 
      1  -0.497191D+01 -0.157448D+02  0.664647D+00  0.153486D+01 -0.219705D+01
      2  -0.139924D+01 -0.139364D+02 -0.678299D+00  0.325613D+00  0.354687D+00
      3   0.637114D+01  0.296813D+02  0.136514D-01 -0.186047D+01  0.184237D+01
      4   0.354007D+01  0.535288D+01  0.686994D+00  0.312638D+01 -0.130523D+01
      5   0.389966D+01  0.164838D+02 -0.983427D+00 -0.150725D+01  0.557339D+01
      6   0.860490D+01  0.151774D+02 -0.248204D+01  0.177099D-01 -0.407846D+00
                76            77            78            79            80 
      1   0.413295D+01 -0.764927D+01  0.117872D+02 -0.254116D+00  0.667041D+01
      2  -0.291904D+01  0.167709D+01  0.769149D-01  0.778254D+00  0.169086D+01
      3  -0.121392D+01  0.597218D+01 -0.118641D+02 -0.524138D+00 -0.836127D+01
      4   0.305962D+01  0.541342D+01 -0.411289D+01 -0.100473D-01 -0.137768D+01
      5  -0.166543D+00 -0.689666D+01  0.108385D+02  0.436137D+01  0.416465D+01
      6  -0.283287D+00 -0.127344D+02  0.136711D+02 -0.972041D+00  0.102537D+02
                81            82            83            84            85 
      1  -0.116383D+02  0.753623D+01 -0.196572D+01 -0.123608D+01 -0.219188D+01
      2  -0.646920D+01 -0.569859D+01  0.213019D+01  0.495252D+01  0.222626D+01
      3   0.181075D+02 -0.183763D+01 -0.164461D+00 -0.371644D+01 -0.343831D-01
      4   0.175611D+01 -0.735156D+01  0.844790D+01  0.705897D+01  0.822842D+01
      5  -0.809324D+01 -0.109226D+02  0.838113D+01  0.148421D+02  0.882149D+01
      6  -0.117765D+02  0.539006D+01 -0.428296D+01 -0.432640D+01 -0.560888D+01
                86            87            88            89            90 
      1  -0.400586D+01 -0.324893D+01  0.955588D+00 -0.169845D+01 -0.387604D+01
      2   0.328143D+01 -0.175180D+01  0.361985D+01 -0.193527D+01 -0.715588D+01
      3   0.724426D+00  0.500073D+01 -0.457543D+01  0.363372D+01  0.110319D+02
      4  -0.120816D+02 -0.941023D+01  0.487967D+01 -0.469200D+01 -0.679766D+01
      5  -0.109602D+02 -0.111189D+02  0.112872D+02 -0.723610D+01 -0.131841D+02
      6   0.105362D+02  0.106951D+02 -0.399764D+01  0.854606D+01  0.857974D+01
                91            92            93            94            95 
      1  -0.781450D+00  0.395112D+01 -0.482701D-01  0.148884D+02 -0.506200D+01
      2   0.290088D+01 -0.155402D+01 -0.121858D+01 -0.109656D+02  0.530463D+01
      3  -0.211943D+01 -0.239710D+01  0.126685D+01 -0.392280D+01 -0.242625D+00
      4   0.768289D+01  0.143083D+01 -0.184304D+01  0.828967D+00  0.158235D+02
      5   0.536622D+00 -0.252793D+01 -0.936003D-01 -0.762702D+01 -0.138583D+01
      6  -0.157476D+01 -0.696571D+00  0.235829D+01 -0.145805D+01 -0.512470D+01
                96            97            98            99           100 
      1  -0.345633D+01  0.112632D+01  0.454984D+00 -0.958199D+00  0.219044D+01
      2   0.416473D+01 -0.357634D+00  0.341775D+00 -0.145323D+01 -0.374250D+01
      3  -0.708396D+00 -0.768683D+00 -0.796760D+00  0.241143D+01  0.155206D+01
      4  -0.338661D+01 -0.223818D+01 -0.286276D+01  0.323302D+01 -0.466084D+01
      5   0.744165D+01  0.313792D+01  0.286906D+01 -0.344984D+01  0.275145D+01
      6   0.135505D+01  0.169836D+01  0.288600D+01 -0.320501D+01 -0.504927D+01
               101           102           103           104           105 
      1   0.815523D+01 -0.700650D+00  0.343510D+01  0.127884D+01  0.167195D+01
      2  -0.110035D+02  0.248289D-01 -0.506457D+01  0.248129D+00 -0.174566D+01
      3   0.284831D+01  0.675821D+00  0.162947D+01 -0.152697D+01  0.737117D-01
      4   0.454009D+01 -0.464083D+01  0.350762D+01 -0.232722D+01  0.174428D+01
      5  -0.177760D+00  0.128822D+01  0.221881D+00  0.182753D+01 -0.164988D+01
      6   0.284421D+01 -0.753155D+01  0.241398D+01 -0.166352D+01  0.249093D+01
               106           107           108           109           110 
      1  -0.276068D+00  0.572800D+01 -0.493492D+01 -0.648053D+00  0.352613D+01
      2  -0.229498D+01 -0.683779D+01 -0.455756D+00  0.207064D+01 -0.659206D+01
      3   0.257105D+01  0.110978D+01  0.539068D+01 -0.142259D+01  0.306593D+01
      4  -0.782833D+01  0.199336D+01 -0.511491D+01  0.132622D+00  0.485453D+01
      5   0.265597D+01 -0.126905D+01  0.274643D+01 -0.552041D+00  0.102248D+01
      6  -0.512299D+01  0.453105D+01 -0.101387D+02  0.531589D+00 -0.118872D+01
               111           112           113           114           115 
      1   0.157324D+00  0.253488D+01 -0.273252D+02 -0.708102D+01  0.212242D+00
      2   0.271873D-02 -0.479349D+01  0.471288D+02  0.115068D+02 -0.372903D+00
      3  -0.160042D+00  0.225861D+01 -0.198036D+02 -0.442582D+01  0.160661D+00
      4   0.847557D+00  0.508113D+01 -0.559652D+00 -0.402032D+00  0.141012D+01
      5   0.183160D+01 -0.283359D+00  0.118301D+01  0.708402D+00  0.146786D+01
      6  -0.455859D+00 -0.160194D+01  0.155133D+02  0.926347D+01 -0.505017D+00
               116           117           118           119           120 
      1  -0.126458D+02 -0.696976D+01 -0.343241D+01  0.910293D+01  0.368099D+01
      2   0.191903D+02  0.793335D+01  0.483110D+01 -0.765703D+01 -0.310419D+01
      3  -0.654446D+01 -0.963589D+00 -0.139870D+01 -0.144591D+01 -0.576800D+00
      4   0.836754D+00  0.444588D+00  0.388277D+00 -0.328004D+01 -0.103548D+01
      5   0.104922D+01  0.579986D+00 -0.172553D+01  0.143188D+01 -0.241586D+00
      6   0.135819D+02  0.850715D+01  0.213997D+01 -0.586544D+01 -0.284195D+01
               121           122           123           124           125 
      1   0.145296D+02 -0.188703D+02 -0.877052D+01  0.288323D+01 -0.709753D+01
      2  -0.100029D+02  0.198842D+02  0.696904D+01 -0.314512D+00  0.407200D+01
      3  -0.452671D+01 -0.101396D+01  0.180148D+01 -0.256872D+01  0.302553D+01
      4  -0.949262D+00  0.123989D+02  0.569455D+01 -0.155308D+01  0.748795D+01
      5   0.136121D+00  0.332215D+01  0.412486D+01  0.172734D+01  0.200882D+01
      6  -0.402418D+01  0.124552D+02  0.841299D+01 -0.265130D+01  0.987190D+01
               126 
      1  -0.697952D+01
      2   0.304050D+01
      3   0.393902D+01
      4   0.198363D+01
      5   0.343361D+01
      6   0.565363D+01
 Leave Link  716 at Thu Aug 12 22:17:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.795301D+02  0.309724D+01 -0.302456D+00
      2   0.309724D+01  0.769448D+02 -0.398632D+00
      3  -0.302456D+00 -0.398632D+00  0.692082D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.542237D+00 -0.160844D+01 -0.418792D+01
      2  -0.178703D+02 -0.767326D+01 -0.292826D+02
      3   0.143486D+02  0.848750D+01  0.708614D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.626628D+02 -0.215238D+02 -0.370688D+02
      2   0.318573D+02  0.170536D+02  0.120215D+02
      3   0.308055D+02  0.447027D+01  0.250473D+02
      4  -0.870779D+00 -0.122924D+02 -0.127617D+02
      5  -0.237702D+02 -0.145501D+02 -0.421171D+02
      6  -0.267860D+01  0.940860D+01  0.136795D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.423832D+00 -0.119553D+01  0.247347D+01 -0.114388D+01  0.122415D+01
      2  -0.119553D+01  0.114704D+01  0.250971D+01  0.122415D+01  0.184197D+00
      3   0.247347D+01  0.250971D+01  0.456232D+01  0.268477D+01 -0.343776D+01
                 6             7             8             9            10 
      1   0.268477D+01  0.508089D+01  0.341595D+01  0.448410D+01 -0.905494D+01
      2  -0.343776D+01  0.341595D+01 -0.950767D+00  0.160520D+01  0.634944D+00
      3   0.289233D+01  0.448410D+01  0.160520D+01  0.299924D+01 -0.307549D+01
                11            12            13            14            15 
      1   0.634944D+00 -0.307549D+01  0.269154D+01 -0.406680D+01 -0.890972D+00
      2  -0.393352D+01 -0.709381D+00 -0.406680D+01  0.254134D+01  0.237521D+00
      3  -0.709381D+00 -0.469338D+01 -0.890972D+00  0.237521D+00  0.649088D-01
                16            17            18            19            20 
      1  -0.452670D+01 -0.191002D+01 -0.588658D+01  0.470335D+00  0.249514D+01
      2  -0.191002D+01  0.335897D+00 -0.943249D+00  0.249514D+01 -0.103950D+01
      3  -0.588658D+01 -0.943249D+00 -0.737895D+01 -0.191731D+01 -0.202071D+01
                21            22            23            24            25 
      1  -0.191731D+01  0.172811D+01 -0.167199D+01 -0.117678D+01 -0.289025D+01
      2  -0.202071D+01 -0.167199D+01 -0.740391D+00  0.157217D+01 -0.204028D+01
      3  -0.204534D+01 -0.117678D+01  0.157217D+01 -0.768974D+00 -0.349720D+01
                26            27            28            29            30 
      1  -0.204028D+01 -0.349720D+01  0.199363D+01  0.118153D+01  0.129566D+01
      2   0.634640D+00 -0.181368D+01  0.118153D+01  0.336375D+01  0.114972D+00
      3  -0.181368D+01 -0.428864D+01  0.129566D+01  0.114972D+00  0.147010D+01
                31            32            33            34            35 
      1   0.896260D+00  0.281085D+01 -0.126636D+00  0.203635D+01  0.704363D+00
      2   0.281085D+01 -0.526924D-01 -0.312090D+01  0.704363D+00 -0.304225D+01
      3  -0.126636D+00 -0.312090D+01  0.116744D+00  0.196087D+01  0.775282D-01
                36            37            38            39            40 
      1   0.196087D+01  0.867724D+00 -0.146496D+01  0.738763D+00 -0.718739D+00
      2   0.775282D-01 -0.146496D+01  0.183825D+01  0.861376D+00  0.576602D+00
      3  -0.210854D-01  0.738763D+00  0.861376D+00  0.652663D+00  0.933108D+00
                41            42            43            44            45 
      1   0.576602D+00  0.933108D+00 -0.753284D+00  0.146311D+01 -0.688891D-01
      2   0.498764D+01 -0.213350D+01  0.146311D+01 -0.289803D+01  0.258462D+00
      3  -0.213350D+01  0.105153D+00 -0.688891D-01  0.258462D+00 -0.123918D+00
                46            47            48            49            50 
      1  -0.701408D+00 -0.259544D+01  0.621800D+00 -0.347382D+01  0.962707D+00
      2  -0.259544D+01  0.250191D+00 -0.551090D+00  0.962707D+00 -0.124362D+02
      3   0.621800D+00 -0.551090D+00 -0.229346D+00 -0.107475D+00  0.238064D+01
                51            52            53            54            55 
      1  -0.107475D+00  0.131634D+01 -0.613229D+00  0.182688D+00  0.573033D+01
      2   0.238064D+01 -0.613229D+00  0.181864D+01 -0.287242D+01  0.333575D+00
      3  -0.249252D+01  0.182688D+00 -0.287242D+01  0.207358D+01 -0.240908D+01
                56            57            58            59            60 
      1   0.333575D+00 -0.240908D+01 -0.199000D+01  0.289346D+01  0.755799D+00
      2   0.861630D+00 -0.182399D+00  0.289346D+01 -0.357117D+01 -0.593543D+00
      3  -0.182399D+00  0.120683D+01  0.755799D+00 -0.593543D+00 -0.574195D+00
                61            62            63            64            65 
      1  -0.180581D+01 -0.287183D+00  0.229724D+01  0.221846D+01  0.275864D+00
      2  -0.287183D+00  0.583201D+00  0.251961D+00  0.275864D+00  0.875688D+00
      3   0.229724D+01  0.251961D+00 -0.318928D+01  0.236046D+01  0.931520D+00
                66            67            68            69            70 
      1   0.236046D+01  0.229401D+00  0.115181D+01  0.746789D+00  0.336612D+01
      2   0.931520D+00  0.115181D+01  0.154950D+01  0.129761D+01  0.102011D+01
      3   0.230809D+01  0.746789D+00  0.129761D+01  0.114456D+01  0.306094D+01
                71            72            73            74            75 
      1   0.102011D+01  0.306094D+01  0.569014D+00 -0.622224D+00  0.588620D+00
      2   0.168339D+01  0.190933D+01 -0.622224D+00 -0.377111D+00 -0.118504D+00
      3   0.190933D+01  0.741480D+01  0.588620D+00 -0.118504D+00 -0.272472D+00
                76            77            78            79            80 
      1  -0.180871D+01 -0.428871D+00 -0.646180D+00  0.482794D+00 -0.127369D+00
      2  -0.428871D+00 -0.351707D+01  0.274000D+01 -0.127369D+00  0.182022D+01
      3  -0.646180D+00  0.274000D+01 -0.443387D+01 -0.263794D+00 -0.219109D+01
                81            82            83            84            85 
      1  -0.263794D+00 -0.269236D+01  0.141735D+01  0.143330D+01  0.225720D+01
      2  -0.219109D+01  0.141735D+01 -0.147682D+01 -0.144173D+01 -0.145870D+01
      3   0.401776D+01  0.143330D+01 -0.144173D+01 -0.277687D+01 -0.127569D+01
                86            87            88            89            90 
      1  -0.145870D+01 -0.127569D+01  0.100406D+01 -0.979122D+00 -0.211003D+01
      2   0.312247D+01  0.260158D+01 -0.979122D+00  0.147948D+01  0.152987D+01
      3   0.260158D+01  0.258013D+01 -0.211003D+01  0.152987D+01  0.302890D+01
                91            92            93            94            95 
      1   0.876291D+00  0.148994D+01  0.117491D-01  0.359293D+01 -0.958474D+00
      2   0.148994D+01 -0.209793D+00 -0.371202D+00 -0.958474D+00  0.475479D+01
      3   0.117491D-01 -0.371202D+00  0.314336D+00 -0.136758D+01 -0.511011D+00
                96            97            98            99           100 
      1  -0.136758D+01 -0.474373D+00 -0.456172D+00  0.696258D+00 -0.295859D+01
      2  -0.511011D+00 -0.456172D+00 -0.759913D+00  0.643556D+00 -0.924424D+00
      3   0.146639D+01  0.696258D+00  0.643556D+00 -0.143651D+01 -0.175849D+01
               101           102           103           104           105 
      1  -0.924424D+00 -0.175849D+01 -0.989477D+00 -0.166004D+01  0.788277D-01
      2  -0.284346D+01  0.300554D+00 -0.166004D+01 -0.134484D+00 -0.629903D+00
      3   0.300554D+00 -0.147432D+01  0.788277D-01 -0.629903D+00  0.416580D+00
               106           107           108           109           110 
      1  -0.342460D+01 -0.524412D+00 -0.116755D+01  0.310668D+00  0.692798D+00
      2  -0.524412D+00 -0.221037D+01  0.988397D+00  0.692798D+00 -0.109015D+01
      3  -0.116755D+01  0.988397D+00 -0.288125D+01 -0.642152D-01 -0.786091D-01
               111           112           113           114           115 
      1  -0.642152D-01  0.148622D+01 -0.986412D+00 -0.248508D+00  0.648800D+00
      2  -0.786091D-01 -0.986412D+00  0.874093D+01  0.208098D+01 -0.696092D-01
      3   0.478164D-01 -0.248508D+00  0.208098D+01  0.159992D+01 -0.100146D+00
               116           117           118           119           120 
      1  -0.696092D-01 -0.100146D+00  0.194701D+01 -0.171856D+01 -0.299247D+00
      2   0.394912D+01  0.187381D+01 -0.171856D+01  0.263381D+01  0.755493D+00
      3   0.187381D+01  0.139777D+01 -0.299247D+00  0.755493D+00  0.929577D+00
               121           122           123           124           125 
      1  -0.275702D+01  0.161172D+01  0.640530D+00 -0.603363D-01  0.403857D+00
      2   0.161172D+01 -0.542883D+01 -0.248390D+01  0.403857D+00 -0.244325D+01
      3   0.640530D+00 -0.248390D+01 -0.211715D+01  0.412091D+00 -0.131769D+01
               126 
      1   0.412091D+00
      2  -0.131769D+01
      3  -0.161244D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.330724D+01  0.600345D+00  0.485990D+01 -0.205207D+01 -0.132863D+01
      2   0.566002D+01  0.182618D+01 -0.496523D+01  0.130064D+01  0.262664D+01
      3  -0.241432D+01  0.110776D+01  0.147323D+01  0.789203D+01  0.490523D+01
                 6             7             8             9            10 
      1  -0.968350D+01  0.400477D+01 -0.106072D+01  0.462040D+01 -0.372563D+01
      2  -0.824173D+01 -0.140405D+02 -0.517199D+01 -0.114246D+02  0.110409D+02
      3  -0.253455D+01  0.339540D+01 -0.493238D+00  0.214772D+01  0.449386D+01
                11            12            13            14            15 
      1   0.837062D+00 -0.347137D+01 -0.207534D+01 -0.675617D+01 -0.116871D+02
      2   0.640449D+01  0.220329D+02  0.693264D+01 -0.676597D+00  0.436986D+00
      3  -0.176561D+02 -0.241472D+01  0.334338D+00  0.101864D+02  0.301783D+01
                16            17            18            19            20 
      1   0.172136D+00  0.558238D+01 -0.943894D+00  0.450256D+01 -0.144259D+00
      2   0.178139D+01 -0.366983D+00  0.110978D+02 -0.620480D+01 -0.447545D+01
      3  -0.371638D+01  0.313137D+01  0.809501D+00 -0.791738D+00 -0.274582D+01
                21            22            23            24            25 
      1  -0.721779D+00 -0.369791D+00 -0.103732D+01  0.172224D+01  0.655920D+00
      2   0.139262D+01 -0.647166D+01  0.124794D+00 -0.128834D+01 -0.983208D+00
      3  -0.663282D+00  0.398051D+01  0.393900D+01  0.545923D+00  0.111993D+01
                26            27            28            29            30 
      1   0.679599D+01 -0.208759D+01 -0.585077D+01 -0.328493D+01 -0.414578D+01
      2  -0.170317D+01  0.935518D+00  0.325482D+01 -0.118289D+00  0.751531D+01
      3  -0.161181D+01 -0.791201D+00  0.580844D+01 -0.402650D+01  0.430653D+01
                31            32            33            34            35 
      1  -0.140773D+01  0.108832D+02 -0.333891D+01 -0.586702D+01  0.448691D+01
      2   0.197136D+01 -0.189443D+01  0.697449D+00  0.864200D+00  0.223835D+01
      3   0.446923D+01  0.367388D+01  0.214969D+01  0.505538D+01  0.609823D+01
                36            37            38            39            40 
      1   0.128815D+01 -0.114471D+01  0.342879D+01  0.931715D+00  0.357412D+01
      2  -0.994217D+00 -0.131197D+02  0.381056D+01 -0.362733D+00 -0.962574D+00
      3   0.373648D+01  0.725177D+01 -0.676297D+01 -0.102530D+01 -0.867185D+01
                41            42            43            44            45 
      1   0.161157D+01  0.563704D+01 -0.279808D+01  0.690987D+01 -0.240751D+01
      2   0.579634D+00  0.266229D+01 -0.128486D+02  0.361426D+01  0.941422D+01
      3  -0.101019D+02 -0.119085D+01  0.184701D+01 -0.225810D+01  0.248887D+00
                46            47            48            49            50 
      1   0.837491D+00 -0.283417D+00  0.331937D+00  0.849719D+00 -0.235545D+01
      2   0.311887D+01 -0.195969D+01  0.255693D+01  0.280514D+01  0.298489D+00
      3   0.421096D+01 -0.101369D+01  0.823998D+00  0.139308D+02  0.176802D+02
                51            52            53            54            55 
      1  -0.113020D+02  0.395366D+00  0.208495D+00  0.223853D+01  0.361879D+00
      2  -0.471298D+01 -0.745879D+00 -0.531008D+01  0.809394D+00  0.195211D+01
      3  -0.216667D+01 -0.122268D+01 -0.111984D+01  0.478787D+01 -0.977254D+00
                56            57            58            59            60 
      1  -0.413166D+01 -0.136149D+01 -0.409776D+01  0.774386D+01 -0.265346D+01
      2  -0.199063D+01  0.683803D+01 -0.959670D+00  0.803325D+00 -0.168146D+01
      3  -0.908584D+01  0.943498D+00 -0.642608D+01  0.153180D+02  0.187966D+01
                61            62            63            64            65 
      1   0.137350D+01  0.288973D+01  0.155031D+00 -0.912832D+00  0.135538D+01
      2   0.438819D+01 -0.133223D+01 -0.985983D+01 -0.153549D+01 -0.292562D+00
      3  -0.582588D+00  0.266776D+01 -0.125489D+01  0.128473D+01 -0.164087D+01
                66            67            68            69            70 
      1  -0.853237D+00  0.837481D+00  0.205672D+01 -0.637993D+00 -0.249525D+00
      2   0.303502D+00  0.416522D+00 -0.905595D+00  0.480704D+00 -0.466009D+01
      3   0.130930D+01  0.644515D+00 -0.108905D+01 -0.203472D+00  0.142352D+01
                71            72            73            74            75 
      1   0.239058D+01 -0.232094D+01 -0.784064D+00  0.565165D+00 -0.500857D+00
      2  -0.387722D+00  0.460664D+00 -0.326607D+01  0.675422D+00  0.512119D+00
      3  -0.842520D+00  0.861036D+00 -0.131285D+01 -0.830816D+00 -0.318385D+00
                76            77            78            79            80 
      1   0.297249D+00 -0.586178D+01  0.321591D+01 -0.436575D-01  0.515880D+01
      2   0.412225D+01 -0.263583D+01  0.579402D+01 -0.248830D+01  0.214374D+01
      3   0.197579D+01 -0.535563D+01  0.373304D+01 -0.714495D+00  0.198321D+01
                81            82            83            84            85 
      1  -0.329301D+01  0.178485D+01 -0.173824D+01 -0.918781D+00 -0.141326D+01
      2  -0.281310D+01  0.177961D+01 -0.539984D-01  0.304528D+01 -0.284579D+01
      3  -0.269275D+01  0.959805D+00 -0.334757D+01 -0.187760D+01  0.509077D+00
                86            87            88            89            90 
      1   0.386989D+01  0.127307D+01 -0.890154D+00  0.356319D+01  0.280827D+00
      2  -0.124484D+01 -0.181589D+01 -0.869423D+00 -0.616081D+00 -0.734518D+00
      3   0.394084D+01  0.307343D+01 -0.426487D+00  0.187816D+01  0.138108D+01
                91            92            93            94            95 
      1  -0.146209D+01  0.306230D+01 -0.926126D+00  0.400640D+01 -0.908708D+01
      2  -0.173330D+01  0.901560D+00  0.396836D-02  0.102604D+01 -0.346100D+01
      3  -0.103550D+01  0.336635D+01  0.977821D+00  0.786063D+01 -0.186485D+02
                96            97            98            99           100 
      1   0.107040D+00 -0.750912D+00  0.183507D+01  0.712997D+00  0.696395D+01
      2   0.330489D+01 -0.106057D+01  0.174587D+01 -0.789417D+00 -0.492802D+01
      3   0.115814D-01 -0.974052D-02  0.259249D+00 -0.363762D+00 -0.101942D+02
               101           102           103           104           105 
      1   0.246318D+01  0.541162D+01  0.206944D+01  0.211216D+01 -0.369761D+00
      2  -0.127396D+01 -0.266230D+01 -0.226540D+01 -0.263265D+01 -0.733028D+00
      3  -0.419734D+01 -0.466548D+01 -0.255527D+01 -0.338896D+01  0.267712D+00
               106           107           108           109           110 
      1   0.524767D+01  0.109595D+01  0.567532D+01  0.750825D+00  0.605926D+00
      2  -0.590266D+01 -0.150369D+01 -0.140755D+01  0.195792D+00  0.142184D+00
      3  -0.906857D+01 -0.107808D+01 -0.322972D+01 -0.184657D+00  0.119284D+01
               111           112           113           114           115 
      1   0.280482D+00  0.129185D+01 -0.662203D+01 -0.585483D+01  0.362948D+00
      2   0.268883D-01 -0.230452D+00  0.174062D+01  0.824381D+00 -0.701421D+00
      3  -0.407570D+00  0.598570D+01 -0.694423D+01 -0.241617D+01  0.236162D+01
               116           117           118           119           120 
      1  -0.437340D+01 -0.397460D+01  0.198577D+01 -0.333563D+01  0.108378D+01
      2   0.155423D+01  0.903049D+00  0.362934D+01 -0.379809D+01 -0.163563D+01
      3  -0.279455D+01 -0.166774D+01 -0.864676D+01  0.717083D+01  0.173826D+01
               121           122           123           124           125 
      1  -0.135442D+01  0.497334D+01 -0.102941D+01 -0.652536D-01  0.298686D+01
      2  -0.483903D+01  0.727744D+01  0.427271D+01 -0.249219D+01  0.354370D+01
      3   0.982969D+01 -0.125636D+02 -0.631230D+01  0.538077D+00 -0.581983D+01
               126 
      1  -0.144019D+00
      2   0.454773D+01
      3  -0.397251D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.581346D+01 -0.756064D+00 -0.655895D+01 -0.214253D+01  0.558118D+01
      2  -0.105644D+01 -0.475538D+01  0.612948D+01 -0.207273D+01  0.175483D+01
      3   0.686989D+01  0.551144D+01  0.429463D+00  0.421526D+01 -0.733600D+01
      4   0.319150D+01 -0.593730D+01 -0.588072D+01 -0.257700D+01  0.273796D+01
      5  -0.414600D+01 -0.862424D+01 -0.168216D+02 -0.125515D+02  0.117852D+02
      6  -0.303356D+01  0.419493D+01  0.396565D+01  0.584256D+01  0.144290D+01
                 6             7             8             9            10 
      1  -0.878258D+01 -0.230613D+02 -0.103598D+02 -0.955851D+01  0.590856D+02
      2   0.495362D+01  0.970781D+01  0.742991D+00  0.539593D+01 -0.317210D+02
      3   0.382896D+01  0.133535D+02  0.961684D+01  0.416258D+01 -0.273647D+02
      4   0.834040D+01 -0.140187D+02 -0.168979D+01  0.297473D+00  0.599527D+01
      5  -0.380994D+01 -0.163488D+02 -0.641926D+00 -0.885578D+01  0.157104D+02
      6  -0.116288D+02  0.298365D+01 -0.965978D+01  0.154019D+01 -0.131988D+01
                11            12            13            14            15 
      1  -0.367838D+01  0.811391D+01 -0.152286D+02  0.129676D+02  0.561383D+01
      2   0.775545D+01 -0.654400D+01  0.152059D+02  0.588612D+01 -0.616684D+01
      3  -0.407707D+01 -0.156991D+01  0.226769D-01 -0.188538D+02  0.553006D+00
      4   0.276272D+02  0.193837D+01  0.322069D+02  0.113261D+01  0.145962D+01
      5   0.417306D-01  0.342904D+02  0.142761D+01  0.231524D+01  0.347239D+01
      6   0.665663D+01  0.421330D+01  0.537199D+01 -0.908333D+01  0.113160D+02
                16            17            18            19            20 
      1   0.110213D+02  0.865558D+01  0.106011D+02 -0.154042D+01  0.620446D+01
      2  -0.110897D+02 -0.528353D+01 -0.252155D+02  0.949700D+01 -0.138887D+01
      3   0.683683D-01 -0.337204D+01  0.146144D+02 -0.795658D+01 -0.481559D+01
      4   0.677432D+01 -0.148947D+01  0.458730D+01  0.253596D+01  0.139778D+01
      5   0.393078D+02  0.733467D+01  0.283303D+02 -0.343770D+01 -0.122702D+01
      6   0.705917D+01  0.102141D+02 -0.367061D+00 -0.397484D+01 -0.553690D+01
                21            22            23            24            25 
      1   0.687138D+01 -0.113173D+00 -0.462904D+00 -0.103195D+00  0.123693D+02
      2   0.221125D+01  0.227904D+01 -0.331044D+01  0.304872D+01 -0.107096D+01
      3  -0.908263D+01 -0.216587D+01  0.377334D+01 -0.294552D+01 -0.112983D+02
      4  -0.367194D+01 -0.633866D+01 -0.727952D+01  0.201979D+01  0.476358D+01
      5  -0.642992D+01  0.280452D+01 -0.606151D+00 -0.738239D+01 -0.344222D+01
      6  -0.660266D+01 -0.184841D+01  0.191310D+01 -0.290872D+01 -0.552980D+01
                26            27            28            29            30 
      1   0.141104D+01  0.727633D+01  0.635540D+01 -0.109119D+02 -0.295068D+00
      2   0.108106D+02  0.601664D+01 -0.579327D-02  0.150166D+02  0.636768D+00
      3  -0.122216D+02 -0.132930D+02 -0.634961D+01 -0.410472D+01 -0.341700D+00
      4   0.170654D+01 -0.575728D+01  0.103599D+01  0.420307D+01  0.581163D+01
      5  -0.368491D+01 -0.963887D+01 -0.213906D+01  0.738056D+00  0.487572D+01
      6  -0.245795D+01 -0.892772D+01  0.521720D+01 -0.595973D+00  0.721098D+01
                31            32            33            34            35 
      1  -0.570979D+01  0.881351D+00  0.933109D+01 -0.301043D+01  0.101829D+02
      2   0.994495D+01 -0.166534D+01 -0.144050D+02  0.419283D+01 -0.195008D+02
      3  -0.423516D+01  0.783985D+00  0.507387D+01 -0.118240D+01  0.931791D+01
      4   0.912039D+01  0.108580D+02 -0.406298D+01  0.455999D+01 -0.474784D+01
      5  -0.729012D+00 -0.267233D+01  0.285008D+01  0.474345D+01  0.115677D+01
      6  -0.182334D+01 -0.180487D+02  0.487135D+01  0.567910D+01  0.743463D+00
                36            37            38            39            40 
      1   0.119414D+01 -0.587616D+01 -0.547918D+01  0.155325D+01 -0.267451D+01
      2  -0.337974D+01  0.762555D+00  0.253259D+01 -0.867410D+01  0.449953D+01
      3   0.218560D+01  0.511360D+01  0.294660D+01  0.712085D+01 -0.182502D+01
      4   0.630755D+01 -0.501219D+01  0.189434D+01  0.225739D+01 -0.990169D+01
      5  -0.450433D+01  0.799687D+01  0.253615D+01 -0.296960D+01  0.470870D+01
      6  -0.249886D+01  0.494945D+00 -0.492919D+00  0.404168D+00 -0.208458D+01
                41            42            43            44            45 
      1   0.171888D+02 -0.240326D+01  0.133724D+02  0.253452D+01 -0.445637D+00
      2  -0.283858D+02 -0.992069D+00 -0.107882D+02  0.238425D+01 -0.749740D+00
      3   0.111970D+02  0.339533D+01 -0.258422D+01 -0.491877D+01  0.119538D+01
      4   0.191403D+02 -0.509901D+01  0.871286D+01 -0.276118D+01  0.217505D+01
      5  -0.829450D+01  0.422325D+01 -0.695487D+00  0.183380D+01  0.930139D+01
      6   0.731148D+01 -0.984282D+01  0.298497D+01  0.608931D+00  0.259716D+01
                46            47            48            49            50 
      1   0.391329D+01 -0.693483D+01  0.106729D+01 -0.567514D+01 -0.295892D+02
      2   0.318687D+01  0.315771D+01  0.346955D+00 -0.463979D+00  0.534982D+02
      3  -0.710016D+01  0.377712D+01 -0.141425D+01  0.613911D+01 -0.239090D+02
      4  -0.837369D+01  0.138055D+02 -0.351609D+01  0.187333D+02 -0.355335D+02
      5   0.373149D+01 -0.358788D+01  0.550399D+01 -0.264932D+01  0.108420D+02
      6  -0.222886D+01  0.171512D+01 -0.179923D+01  0.325106D+01 -0.113143D+02
                51            52            53            54            55 
      1   0.669815D+01  0.730858D+00  0.327453D+01 -0.763007D+01  0.416297D+02
      2  -0.510959D+01  0.140255D+01 -0.442664D+01  0.455626D+01 -0.267707D+02
      3  -0.158856D+01 -0.213340D+01  0.115211D+01  0.307382D+01 -0.148590D+02
      4   0.656064D+01 -0.446380D+01  0.502851D+01 -0.890986D+01  0.295301D+01
      5  -0.958034D+01  0.485028D+01 -0.979331D+01  0.634309D+01 -0.161813D+02
      6   0.163243D+02 -0.298571D+01  0.152704D+02 -0.679910D+01  0.110524D+01
                56            57            58            59            60 
      1   0.276845D+01 -0.866220D+01 -0.675892D+01  0.838562D+01  0.244094D+01
      2  -0.144146D+00  0.106881D+02  0.600279D+01 -0.446638D+01 -0.207862D+01
      3  -0.262430D+01 -0.202587D+01  0.756132D+00 -0.391924D+01 -0.362324D+00
      4   0.926487D+01 -0.492965D+00  0.136629D+02 -0.100130D+02 -0.285571D+01
      5  -0.377030D+00  0.155302D+02  0.355095D+01 -0.359850D+01 -0.325529D+01
      6  -0.883195D+00  0.511422D+00 -0.252525D+01  0.322979D+01  0.639976D+01
                61            62            63            64            65 
      1  -0.114368D+02 -0.187269D+01  0.352538D+01  0.275676D+01 -0.138746D+01
      2   0.109383D+02  0.416332D+00 -0.142660D+02 -0.659590D+01  0.112053D+00
      3   0.498472D+00  0.145636D+01  0.107406D+02  0.383914D+01  0.127541D+01
      4  -0.364354D+01 -0.972469D+00  0.442124D+00  0.389299D+01  0.556955D+01
      5   0.162451D+02  0.140587D+01 -0.197949D+02  0.905839D+01  0.347906D+01
      6  -0.116006D+01  0.395011D+01  0.125910D+01  0.478423D+01  0.411408D+01
                66            67            68            69            70 
      1  -0.214915D+01 -0.109120D+01 -0.461529D+01 -0.343152D+01 -0.443100D+01
      2  -0.560477D+01  0.253420D+00  0.175760D+01  0.998165D+00 -0.414904D+01
      3   0.775392D+01  0.837777D+00  0.285769D+01  0.243336D+01  0.858004D+01
      4   0.407374D+01  0.486755D+01  0.338706D+01  0.320772D+01  0.265514D+01
      5   0.120290D+02  0.233546D+01  0.313910D+01  0.313760D+01  0.102324D+02
      6   0.530168D+01  0.407587D+01  0.516826D+01  0.878850D+01  0.561653D+01
                71            72            73            74            75 
      1  -0.497191D+01 -0.157448D+02  0.664647D+00  0.153486D+01 -0.219705D+01
      2  -0.139924D+01 -0.139364D+02 -0.678299D+00  0.325613D+00  0.354687D+00
      3   0.637114D+01  0.296813D+02  0.136514D-01 -0.186047D+01  0.184237D+01
      4   0.354007D+01  0.535288D+01  0.686994D+00  0.312638D+01 -0.130523D+01
      5   0.389966D+01  0.164838D+02 -0.983427D+00 -0.150725D+01  0.557339D+01
      6   0.860490D+01  0.151774D+02 -0.248204D+01  0.177099D-01 -0.407846D+00
                76            77            78            79            80 
      1   0.413295D+01 -0.764927D+01  0.117872D+02 -0.254116D+00  0.667041D+01
      2  -0.291904D+01  0.167709D+01  0.769149D-01  0.778254D+00  0.169086D+01
      3  -0.121392D+01  0.597218D+01 -0.118641D+02 -0.524138D+00 -0.836127D+01
      4   0.305962D+01  0.541342D+01 -0.411289D+01 -0.100473D-01 -0.137768D+01
      5  -0.166543D+00 -0.689666D+01  0.108385D+02  0.436137D+01  0.416465D+01
      6  -0.283287D+00 -0.127344D+02  0.136711D+02 -0.972041D+00  0.102537D+02
                81            82            83            84            85 
      1  -0.116383D+02  0.753623D+01 -0.196572D+01 -0.123608D+01 -0.219188D+01
      2  -0.646920D+01 -0.569859D+01  0.213019D+01  0.495252D+01  0.222626D+01
      3   0.181075D+02 -0.183763D+01 -0.164461D+00 -0.371644D+01 -0.343831D-01
      4   0.175611D+01 -0.735156D+01  0.844790D+01  0.705897D+01  0.822842D+01
      5  -0.809324D+01 -0.109226D+02  0.838113D+01  0.148421D+02  0.882149D+01
      6  -0.117765D+02  0.539006D+01 -0.428296D+01 -0.432640D+01 -0.560888D+01
                86            87            88            89            90 
      1  -0.400586D+01 -0.324893D+01  0.955588D+00 -0.169845D+01 -0.387604D+01
      2   0.328143D+01 -0.175180D+01  0.361985D+01 -0.193527D+01 -0.715588D+01
      3   0.724426D+00  0.500073D+01 -0.457543D+01  0.363372D+01  0.110319D+02
      4  -0.120816D+02 -0.941023D+01  0.487967D+01 -0.469200D+01 -0.679766D+01
      5  -0.109602D+02 -0.111189D+02  0.112872D+02 -0.723610D+01 -0.131841D+02
      6   0.105362D+02  0.106951D+02 -0.399764D+01  0.854606D+01  0.857974D+01
                91            92            93            94            95 
      1  -0.781450D+00  0.395112D+01 -0.482701D-01  0.148884D+02 -0.506200D+01
      2   0.290088D+01 -0.155402D+01 -0.121858D+01 -0.109656D+02  0.530463D+01
      3  -0.211943D+01 -0.239710D+01  0.126685D+01 -0.392280D+01 -0.242625D+00
      4   0.768289D+01  0.143083D+01 -0.184304D+01  0.828967D+00  0.158235D+02
      5   0.536622D+00 -0.252793D+01 -0.936003D-01 -0.762702D+01 -0.138583D+01
      6  -0.157476D+01 -0.696571D+00  0.235829D+01 -0.145805D+01 -0.512470D+01
                96            97            98            99           100 
      1  -0.345633D+01  0.112632D+01  0.454984D+00 -0.958199D+00  0.219044D+01
      2   0.416473D+01 -0.357634D+00  0.341775D+00 -0.145323D+01 -0.374250D+01
      3  -0.708396D+00 -0.768683D+00 -0.796760D+00  0.241143D+01  0.155206D+01
      4  -0.338661D+01 -0.223818D+01 -0.286276D+01  0.323302D+01 -0.466084D+01
      5   0.744165D+01  0.313792D+01  0.286906D+01 -0.344984D+01  0.275145D+01
      6   0.135505D+01  0.169836D+01  0.288600D+01 -0.320501D+01 -0.504927D+01
               101           102           103           104           105 
      1   0.815523D+01 -0.700650D+00  0.343510D+01  0.127884D+01  0.167195D+01
      2  -0.110035D+02  0.248289D-01 -0.506457D+01  0.248129D+00 -0.174566D+01
      3   0.284831D+01  0.675821D+00  0.162947D+01 -0.152697D+01  0.737117D-01
      4   0.454009D+01 -0.464083D+01  0.350762D+01 -0.232722D+01  0.174428D+01
      5  -0.177760D+00  0.128822D+01  0.221881D+00  0.182753D+01 -0.164988D+01
      6   0.284421D+01 -0.753155D+01  0.241398D+01 -0.166352D+01  0.249093D+01
               106           107           108           109           110 
      1  -0.276068D+00  0.572800D+01 -0.493492D+01 -0.648053D+00  0.352613D+01
      2  -0.229498D+01 -0.683779D+01 -0.455756D+00  0.207064D+01 -0.659206D+01
      3   0.257105D+01  0.110978D+01  0.539068D+01 -0.142259D+01  0.306593D+01
      4  -0.782833D+01  0.199336D+01 -0.511491D+01  0.132622D+00  0.485453D+01
      5   0.265597D+01 -0.126905D+01  0.274643D+01 -0.552041D+00  0.102248D+01
      6  -0.512299D+01  0.453105D+01 -0.101387D+02  0.531589D+00 -0.118872D+01
               111           112           113           114           115 
      1   0.157324D+00  0.253488D+01 -0.273252D+02 -0.708102D+01  0.212242D+00
      2   0.271873D-02 -0.479349D+01  0.471288D+02  0.115068D+02 -0.372903D+00
      3  -0.160042D+00  0.225861D+01 -0.198036D+02 -0.442582D+01  0.160661D+00
      4   0.847557D+00  0.508113D+01 -0.559652D+00 -0.402032D+00  0.141012D+01
      5   0.183160D+01 -0.283359D+00  0.118301D+01  0.708402D+00  0.146786D+01
      6  -0.455859D+00 -0.160194D+01  0.155133D+02  0.926347D+01 -0.505017D+00
               116           117           118           119           120 
      1  -0.126458D+02 -0.696976D+01 -0.343241D+01  0.910293D+01  0.368099D+01
      2   0.191903D+02  0.793335D+01  0.483110D+01 -0.765703D+01 -0.310419D+01
      3  -0.654446D+01 -0.963589D+00 -0.139870D+01 -0.144591D+01 -0.576800D+00
      4   0.836754D+00  0.444588D+00  0.388277D+00 -0.328004D+01 -0.103548D+01
      5   0.104922D+01  0.579986D+00 -0.172553D+01  0.143188D+01 -0.241586D+00
      6   0.135819D+02  0.850715D+01  0.213997D+01 -0.586544D+01 -0.284195D+01
               121           122           123           124           125 
      1   0.145296D+02 -0.188703D+02 -0.877052D+01  0.288323D+01 -0.709753D+01
      2  -0.100029D+02  0.198842D+02  0.696904D+01 -0.314512D+00  0.407200D+01
      3  -0.452671D+01 -0.101396D+01  0.180148D+01 -0.256872D+01  0.302553D+01
      4  -0.949262D+00  0.123989D+02  0.569455D+01 -0.155308D+01  0.748795D+01
      5   0.136121D+00  0.332215D+01  0.412486D+01  0.172734D+01  0.200882D+01
      6  -0.402418D+01  0.124552D+02  0.841299D+01 -0.265130D+01  0.987190D+01
               126 
      1  -0.697952D+01
      2   0.304050D+01
      3   0.393902D+01
      4   0.198363D+01
      5   0.343361D+01
      6   0.565363D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x         -0.547114D+00     -0.139063D+01     -0.463863D+01
   y          0.162828D+01      0.413868D+01      0.138051D+02
   z          0.551660D+00      0.140218D+01      0.467717D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.716604D+02      0.106190D+02      0.118152D+02
   yx         0.243582D+01      0.360951D+00      0.401612D+00
   yy         0.701116D+02      0.103895D+02      0.115598D+02
   zx         0.618175D+00      0.916041D-01      0.101923D+00
   zy         0.503304D+00      0.745819D-01      0.829836D-01
   zz         0.628142D+02      0.930810D+01      0.103567D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.752277D+02      0.111476D+02      0.124034D+02
   aniso      0.107736D+02      0.159648D+01      0.177632D+01
   xx         0.795301D+02      0.117852D+02      0.131127D+02
   yx         0.309724D+01      0.458963D+00      0.510665D+00
   yy         0.769448D+02      0.114020D+02      0.126865D+02
   zx        -0.302456D+00     -0.448193D-01     -0.498682D-01
   zy        -0.398632D+00     -0.590712D-01     -0.657256D-01
   zz         0.692082D+02      0.102556D+02      0.114109D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.24641604         -2.03519886          1.24324173
    16         -3.93449348         -0.07327055          0.32594033
     6          1.27263411         -0.61969111          1.20752953
     7          1.38492540          1.66648138          2.75516855
     6          2.05435184          0.01528484         -1.52550917
     8          1.62225679         -1.35295206         -3.28555090
     8          3.30291008          2.19478524         -1.74161525
     1          2.73660394         -1.91549721          1.88735268
     1         -1.15485379         -3.67762515          0.01352977
     1         -1.66511488         -2.67009889          3.15755579
     1          3.28340613          2.94013493         -0.03665214
     1         -0.30897994          2.57143491          2.70138140
     1          1.81222594          1.28242030          4.57722152
     1         -3.33061289          0.07916722         -2.13585874

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180415D+01      0.458569D+01      0.152962D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180415D+01      0.458569D+01      0.152962D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.681954D+02      0.101055D+02      0.112439D+02
   aniso      0.930910D+01      0.137947D+01      0.153486D+01
   xx         0.721405D+02      0.106901D+02      0.118944D+02
   yx         0.274072D+01      0.406133D+00      0.451884D+00
   yy         0.640441D+02      0.949035D+01      0.105594D+02
   zx         0.106433D+01      0.157717D+00      0.175484D+00
   zy         0.195503D+01      0.289706D+00      0.322341D+00
   zz         0.684016D+02      0.101361D+02      0.112779D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.752277D+02      0.111476D+02      0.124034D+02
   aniso      0.107736D+02      0.159648D+01      0.177632D+01
   xx         0.794531D+02      0.117737D+02      0.131000D+02
   yx         0.410481D+01      0.608270D+00      0.676791D+00
   yy         0.716302D+02      0.106145D+02      0.118102D+02
   zx         0.762582D+00      0.113003D+00      0.125733D+00
   zy         0.237993D+01      0.352669D+00      0.392397D+00
   zz         0.745999D+02      0.110546D+02      0.122999D+02

 ----------------------------------------------------------------------
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 Everywhere is walking distance if you have the time.
                                    -- Steven Wright
 Job cpu time:       0 days  1 hours 30 minutes 31.4 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 21.3 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:17:07 2021.
